fragment1_center-C9-C11 CandideChampion 20 19 0 0 0 0 0 0 0 0999 V2000 -2.1852 -2.8407 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -1.6753 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -3.4812 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2095 -2.4791 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 -3.4319 0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -0.8796 0.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 -2.0279 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 -1.0667 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 0.4762 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 1.0979 0.8316 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 1.2065 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 0.3923 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 1.7795 -1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 1.9240 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0834 0.2944 -1.8774 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6011 -0.2218 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7931 1.0321 0.9686 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 -0.4880 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -1.1001 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 1.1967 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 7 1 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 0 0 0 0 11 14 1 0 0 0 0 12 11 1 0 0 0 0 12 16 1 0 0 0 0 13 11 1 0 0 0 0 15 12 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 M END $$$$ fragment2_center-C1-C8 CandideChampion 20 19 0 0 0 0 0 0 0 0999 V2000 -1.2057 0.8880 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 -0.4340 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 -1.1529 -0.5200 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 -0.2457 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 -1.0904 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -2.2163 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 1.3821 0.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1289 1.6136 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3306 0.8926 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 2.5844 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2319 1.7737 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7062 0.9608 -1.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 0.1326 0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0439 -0.6611 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -1.9456 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -0.0598 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -0.8596 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 -2.5609 -0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 -1.7321 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 -2.5154 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 7 2 0 0 0 0 2 5 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 6 3 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 9 13 1 0 0 0 0 10 8 1 0 0 0 0 12 9 2 0 0 0 0 14 13 1 0 0 0 0 14 17 1 0 0 0 0 15 14 1 0 0 0 0 15 20 1 0 0 0 0 16 14 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 M END $$$$ fragment3_center-C9-C11 CandideChampion 30 31 0 0 0 0 0 0 0 0999 V2000 -4.6014 1.9562 -1.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3102 1.9242 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8797 2.9939 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4113 1.4870 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4711 1.4347 -2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 0.5646 -0.4436 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 2.3953 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4927 2.4007 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4363 -0.0994 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2822 0.3578 1.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 -1.5266 0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 -2.1070 -0.4319 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5906 -1.6386 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -2.1910 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 -1.1036 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 -0.3346 1.2284 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8032 0.2238 1.2461 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 -0.2080 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8379 -1.0596 -0.5332 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.8312 2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 0.2071 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 1.4901 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6462 1.9132 0.1337 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 1.0508 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -0.2360 -0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8409 -0.6760 -0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 2.2189 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5222 1.4116 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8844 -0.8817 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 -1.6679 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 11 1 0 0 0 0 14 11 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 19 18 2 0 0 0 0 21 18 1 0 0 0 0 21 22 2 0 0 0 0 22 27 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 26 2 0 0 0 0 25 24 1 0 0 0 0 26 21 1 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 M END $$$$ fragment4_center-C7-C15 CandideChampion 31 33 0 0 0 0 0 0 0 0999 V2000 0.5139 2.4526 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 1.1662 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.1110 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 0.5458 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 1.8273 -0.7718 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 2.7200 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9138 -1.2839 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0137 -2.1339 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -1.6892 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -0.3818 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 0.8588 1.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 1.6077 1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 3.2673 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 3.7280 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 -1.9940 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 -3.2003 0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1262 -2.3994 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -0.0159 -0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -1.1809 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -2.7763 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 -2.5126 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -1.1788 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9135 -0.4074 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9601 0.3593 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 0.3274 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 -0.4506 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7399 -1.7544 1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 -0.4067 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8367 0.9609 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9188 0.8977 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 -0.4773 -1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 2 2 0 0 0 0 2 11 1 0 0 0 0 3 7 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 6 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 8 16 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 15 21 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 15 1 0 0 0 0 19 22 2 0 0 0 0 20 15 1 0 0 0 0 22 27 1 0 0 0 0 23 22 1 0 0 0 0 23 28 1 0 0 0 0 24 23 2 0 0 0 0 25 26 2 0 0 0 0 25 24 1 0 0 0 0 26 19 1 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 31 26 1 0 0 0 0 M END $$$$ fragment5_center-C13-C18 CandideChampion 32 33 0 0 0 0 0 0 0 0999 V2000 5.4167 -0.9992 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 -0.3608 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9305 -0.5862 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -0.8223 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 -2.0707 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.8850 0.2112 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 0.1952 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 0.9546 -0.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 1.3163 -0.3055 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 0.1176 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 -1.1259 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 -1.2066 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 -0.0593 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 1.1805 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 1.2775 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 -2.0241 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 -2.1848 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 -0.1054 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 2.0925 0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 2.2440 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2859 -1.5329 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2599 0.4801 1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 0.7285 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3809 -1.5083 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -2.1672 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 -1.9953 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 0.4401 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9551 1.5238 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8684 -0.0916 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3831 0.6954 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 0.3340 -2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9801 1.7761 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 2 6 2 0 0 0 0 2 1 1 0 0 0 0 4 1 1 0 0 0 0 7 10 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 9 7 2 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 2 0 0 0 0 14 19 1 0 0 0 0 15 14 1 0 0 0 0 15 20 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 22 1 0 0 0 0 21 24 1 0 0 0 0 21 18 1 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 32 1 0 0 0 0 23 18 1 0 0 0 0 26 21 1 0 0 0 0 30 23 1 0 0 0 0 31 23 1 0 0 0 0 M END $$$$ fragment6_center-C1-C9 CandideChampion 15 14 0 0 0 0 0 0 0 0999 V2000 0.0163 -0.0703 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -1.2947 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 0.6428 -0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 0.0111 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 1.6498 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -1.0667 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 0.2715 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 0.3005 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2397 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -0.0381 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2065 1.4500 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2071 1.4496 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5552 -0.6816 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 0.6123 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5544 -0.6818 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 6 4 1 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 M END $$$$ fragment7_center-C9-C18 CandideChampion 24 25 0 0 0 0 0 0 0 0999 V2000 -3.0999 -0.3766 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 -1.2040 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -0.5652 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 0.8446 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7356 1.6581 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 1.0331 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7471 1.1982 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5602 -1.0517 -0.0477 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 0.0464 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 -2.2863 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 -0.8250 0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 1.6370 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6392 2.7402 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -2.4518 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -3.0371 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 -2.8163 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -2.5798 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8916 -0.0969 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 1.2557 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -0.6958 0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 -0.6617 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 1.8500 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 1.1100 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3133 1.8212 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 3 4 2 0 0 0 0 3 2 1 0 0 0 0 5 13 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 12 6 1 0 0 0 0 14 16 1 0 0 0 0 15 14 1 0 0 0 0 17 14 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 M END $$$$ fragment8_center-C14-C17 CandideChampion 23 24 0 0 0 0 0 0 0 0999 V2000 -3.9348 0.5733 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 1.5812 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 1.2536 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2133 -0.0938 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -1.1087 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 -0.7703 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2885 -1.5572 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9902 0.8312 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 2.6254 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 2.0279 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -2.1492 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 -0.4271 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2204 0.5235 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -0.2090 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 -1.5341 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -1.6734 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7286 0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 1.7320 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -0.2259 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -0.2272 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 2.1664 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 2.0021 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4054 2.1678 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 9 1 0 0 0 0 3 2 1 0 0 0 0 3 10 1 0 0 0 0 4 12 1 0 0 0 0 4 3 2 0 0 0 0 5 6 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 11 5 1 0 0 0 0 12 16 2 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 17 1 0 0 0 0 18 23 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 M END $$$$ fragment9_center-C14-C19 CandideChampion 33 35 0 0 0 0 0 0 0 0999 V2000 5.1363 0.1009 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 1.2274 -0.1122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 -1.0728 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0464 0.7503 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -0.6685 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 1.4544 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 0.6854 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -0.7512 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 -1.4429 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 2.5397 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -2.5270 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4309 -1.4848 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -0.8814 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7755 0.5273 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6057 1.2813 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 2.3699 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 -1.7077 0.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 -2.6050 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0316 1.3879 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 0.7739 -0.0187 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0261 2.0434 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 2.0222 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7273 -0.0034 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 -0.2344 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 -0.9127 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 0.6269 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0257 1.5929 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7637 0.0531 1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 0.1262 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 0.1105 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8206 -0.2108 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5838 0.7344 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -0.8365 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 3 1 1 0 0 0 0 5 4 1 0 0 0 0 5 9 2 0 0 0 0 6 4 2 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 7 2 0 0 0 0 8 12 1 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 13 2 0 0 0 0 13 17 1 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 19 14 1 0 0 0 0 19 21 1 0 0 0 0 20 19 1 0 0 0 0 20 28 1 0 0 0 0 22 19 1 0 0 0 0 23 24 1 0 0 0 0 23 20 1 0 0 0 0 25 23 1 0 0 0 0 26 23 1 0 0 0 0 27 20 1 0 0 0 0 28 33 1 0 0 0 0 28 32 1 0 0 0 0 29 1 1 0 0 0 0 31 28 1 0 0 0 0 M END $$$$ fragment10_center-C3-C9 CandideChampion 18 18 0 0 0 0 0 0 0 0999 V2000 -1.8661 -1.4356 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4575 -1.2625 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 0.0769 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 -0.2324 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 1.1047 -0.0006 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -2.3976 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6065 -0.0615 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2295 -2.1045 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 0.6666 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -0.4323 0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 1.2713 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 1.2715 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 0.0497 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -1.0286 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 0.6644 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 0.6354 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3921 -0.8154 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -1.0251 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 7 4 1 0 0 0 0 9 12 1 0 0 0 0 10 9 1 0 0 0 0 10 18 1 0 0 0 0 11 9 1 0 0 0 0 13 10 1 0 0 0 0 13 17 1 0 0 0 0 13 15 1 0 0 0 0 14 10 1 0 0 0 0 16 13 1 0 0 0 0 M END $$$$ fragment11_center-C15-C17 CandideChampion 26 26 0 0 0 0 0 0 0 0999 V2000 3.1938 -1.4865 0.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -1.8865 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 -0.8836 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 -2.8559 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -1.9976 -1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 0.4346 0.1001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -0.8123 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 -1.2022 0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 0.8532 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 -0.2263 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 1.0054 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 1.7991 -0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.0282 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -0.3083 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 1.4390 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 2.6291 0.0276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 1.1700 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6991 -0.2052 -0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8058 1.6473 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 1.7112 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 -0.5639 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2951 -1.7332 -0.2303 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0407 0.5335 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 1.3439 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 0.9555 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 0.0948 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 1 1 0 0 0 0 10 9 1 0 0 0 0 12 9 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 17 1 0 0 0 0 20 17 1 0 0 0 0 21 23 1 0 0 0 0 22 21 2 0 0 0 0 23 25 1 0 0 0 0 24 23 1 0 0 0 0 26 23 1 0 0 0 0 M END $$$$ fragment12_center-C13-C16 CandideChampion 22 23 0 0 0 0 0 0 0 0999 V2000 2.3025 -1.4766 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 -1.5468 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 -0.2310 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 0.9700 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 0.8943 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.3475 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -2.3924 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 -2.5097 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 -0.2106 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 1.9261 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 1.8900 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 1.3216 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 -0.0575 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 1.9501 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 2.8809 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3461 -1.0661 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 -0.4434 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -1.7183 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 -1.7156 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 0.1804 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5129 -1.2191 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 0.1805 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 6 2 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 11 1 0 0 0 0 13 16 1 0 0 0 0 13 6 1 0 0 0 0 13 12 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 20 1 0 0 0 0 19 16 1 0 0 0 0 22 17 1 0 0 0 0 M END $$$$ fragment13_center-C12-C14 CandideChampion 33 35 0 0 0 0 0 0 0 0999 V2000 -2.0267 2.8611 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 2.6588 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 1.3776 -2.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 1.8290 0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 0.5554 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 0.3271 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 4.0988 0.2991 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7538 2.0270 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3166 3.4920 -2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 1.1855 -3.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 -0.2566 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.9860 -1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -1.4448 -2.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -1.7508 -1.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -1.0960 -0.3093 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -2.7482 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7084 -1.8746 -2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 -1.3846 1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -0.4652 1.7629 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 0.5152 0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 0.1378 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3831 -2.6569 1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6003 -2.7616 2.8962 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -3.7367 0.9830 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 -2.7267 1.3848 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 0.9622 -1.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 2.1820 -1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 2.5713 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 1.7463 1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 3.5343 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 2.0398 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 0.6704 -2.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4358 2.8584 -2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 3 6 1 0 0 0 0 4 8 1 0 0 0 0 5 4 1 0 0 0 0 5 11 1 0 0 0 0 6 5 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 12 14 1 0 0 0 0 12 6 1 0 0 0 0 13 12 2 0 0 0 0 14 16 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 17 14 1 0 0 0 0 18 22 1 0 0 0 0 18 19 2 0 0 0 0 20 29 1 0 0 0 0 20 19 1 0 0 0 0 21 15 1 0 0 0 0 21 20 2 0 0 0 0 22 23 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 26 27 2 0 0 0 0 26 21 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 29 31 1 0 0 0 0 32 26 1 0 0 0 0 33 27 1 0 0 0 0 M END $$$$ fragment14_center-C6-C12 CandideChampion 39 42 0 0 0 0 0 0 0 0999 V2000 -2.6460 -0.3352 -1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9901 0.0042 -1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4871 0.2112 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 0.0119 1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3289 -0.3263 0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 -0.5197 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -0.4719 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0807 0.1574 2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 -0.4792 -2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6356 0.1499 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1568 0.6335 0.1418 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3635 -0.8621 -0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 -0.9385 0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 -1.8219 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 -0.0723 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -0.8153 0.4378 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -1.8646 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 0.3674 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 0.1451 -0.1449 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -1.2287 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3808 -3.2520 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 -4.0065 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -3.3978 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8932 -2.0157 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -3.7066 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -5.0894 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6278 -4.0308 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8388 -1.5467 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 1.6597 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 1.9585 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0339 2.6161 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 3.8511 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 4.1395 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 3.1927 0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 3.4181 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 1.2377 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 5.0972 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8489 2.3745 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 4.5871 -1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 11 1 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 5 4 1 0 0 0 0 5 7 1 0 0 0 0 6 5 2 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 12 6 1 0 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 21 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 20 1 0 0 0 0 19 18 2 0 0 0 0 20 17 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 24 20 1 0 0 0 0 27 23 1 0 0 0 0 28 24 1 0 0 0 0 29 18 1 0 0 0 0 29 30 2 0 0 0 0 30 36 1 0 0 0 0 31 29 1 0 0 0 0 32 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 30 1 0 0 0 0 34 35 1 0 0 0 0 37 33 1 0 0 0 0 38 31 1 0 0 0 0 39 32 1 0 0 0 0 M END $$$$ fragment15_center-C4-C14 CandideChampion 20 20 0 0 0 0 0 0 0 0999 V2000 -0.7561 -0.1044 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3406 -1.3599 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 -1.3330 0.0944 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 -0.0700 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3198 0.7421 0.0112 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 2.1336 -0.1245 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0742 2.5487 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 2.3843 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 0.4815 0.1337 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 -1.0685 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -0.8739 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 -1.8541 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -1.3598 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 0.4395 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 -0.6978 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9313 1.0338 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 1.1292 0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 -1.2777 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8606 -0.2907 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6843 -1.3791 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 0 0 0 0 8 6 1 0 0 0 0 10 11 1 0 0 0 0 10 9 1 0 0 0 0 10 12 1 0 0 0 0 13 10 1 0 0 0 0 14 15 1 0 0 0 0 14 4 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 14 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 M END $$$$ fragment16_center-C4-C10 CandideChampion 22 22 0 0 0 0 0 0 0 0999 V2000 -2.6846 0.3131 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -0.9131 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 -0.8359 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 0.4846 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 1.1952 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -2.1381 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 -2.0204 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -2.6790 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -2.6885 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 1.3513 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 0.7328 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 1.9924 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6518 1.9924 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7002 1.5407 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 -0.0149 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 -0.0108 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 -0.4004 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 0.6839 -2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -0.8272 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3948 -0.3981 1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6672 -0.8214 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2918 0.6911 2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 8 6 1 0 0 0 0 10 4 1 0 0 0 0 10 12 1 0 0 0 0 11 10 1 0 0 0 0 11 16 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 17 1 0 0 0 0 15 11 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 M END $$$$ fragment17_center-C6-C9 CandideChampion 26 26 0 0 0 0 0 0 0 0999 V2000 2.9424 1.6105 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 0.8085 -0.3621 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 1.5595 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 2.6455 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 1.2506 -1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9878 -0.4630 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 0.9874 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0813 -0.9628 0.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -1.2412 0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5098 -0.4734 0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7383 -2.1099 -0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -1.6304 1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 0.2794 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 -1.3135 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9886 1.3477 0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 0.7591 1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 -0.3956 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9336 -0.5677 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -2.2649 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3612 -1.5449 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 0.8646 -0.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4555 2.2709 0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 1.5685 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4324 -0.8325 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5931 -0.8800 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5449 1.3708 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 6 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 6 8 2 0 0 0 0 7 2 1 0 0 0 0 9 12 1 0 0 0 0 10 9 1 0 0 0 0 10 13 1 0 0 0 0 11 9 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 10 1 0 0 0 0 14 19 1 0 0 0 0 15 13 1 0 0 0 0 15 23 1 0 0 0 0 18 24 1 0 0 0 0 20 14 1 0 0 0 0 21 18 1 0 0 0 0 21 15 1 0 0 0 0 22 15 1 0 0 0 0 25 18 1 0 0 0 0 26 21 1 0 0 0 0 M END $$$$ fragment18_center-C5-C9 CandideChampion 26 28 0 0 0 0 0 0 0 0999 V2000 3.9972 -1.7159 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 -1.1178 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -1.0329 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.0584 0.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 -0.1128 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 -2.5342 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 -1.1060 2.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 -1.3916 -1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7113 0.8290 -1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 1.6838 -0.3884 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 1.4662 -1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 0.2477 -1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 1.4818 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 2.6742 -0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 0.1796 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 0.1206 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1696 1.2892 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 2.4899 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 2.5952 -0.0357 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 1.2652 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 3.4325 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -1.1329 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 -2.1175 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9665 -1.5143 0.2136 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -1.3559 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1832 -3.1862 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 3 2 0 0 0 0 2 5 2 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 18 17 1 0 0 0 0 18 21 1 0 0 0 0 19 18 2 0 0 0 0 22 15 1 0 0 0 0 22 23 2 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 25 22 1 0 0 0 0 M END $$$$ fragment19_center-C5-C6 CandideChampion 23 23 0 0 0 0 0 0 0 0999 V2000 -0.1149 -1.7856 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -1.4034 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9675 -0.7043 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 0.7826 -0.1873 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 -0.0453 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 0.7255 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 -0.1797 0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 1.2440 -1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 1.4928 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0111 0.4762 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -0.2641 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 1.3043 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 0.8682 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -2.0794 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 -2.8047 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3621 -0.7886 -0.1107 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 0.2572 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 -1.7097 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 1.3939 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6991 -0.0988 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8859 -1.1747 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0586 0.2968 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2559 0.3911 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 1 1 0 0 0 0 2 14 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 5 2 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 8 6 1 0 0 0 0 10 7 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 10 1 0 0 0 0 16 3 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 18 16 1 0 0 0 0 20 21 1 0 0 0 0 20 17 1 0 0 0 0 20 23 1 0 0 0 0 22 20 1 0 0 0 0 M END $$$$ fragment20_center-C5-C6 CandideChampion 26 27 0 0 0 0 0 0 0 0999 V2000 -2.5706 -1.1815 0.0473 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1804 -1.1567 0.2191 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 0.0726 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8877 0.9425 0.0575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 0.0955 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 0.6732 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 -0.4046 0.5538 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 1.2795 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 1.3514 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8182 -0.1810 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 -1.3011 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 1.1067 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 1.2917 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 0.2016 -0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6448 -1.2775 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 -1.0842 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6059 -1.9443 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 0.3506 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -2.2786 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 1.9677 0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 2.2957 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5148 0.7481 -0.2477 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 -0.8127 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4773 -0.5447 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2965 -1.3131 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -1.4651 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 8 6 1 0 0 0 0 10 12 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 14 2 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 22 23 1 0 0 0 0 22 3 1 0 0 0 0 23 25 1 0 0 0 0 24 23 1 0 0 0 0 26 23 1 0 0 0 0 M END $$$$ fragment21_center-C1-C13 CandideChampion 25 26 0 0 0 0 0 0 0 0999 V2000 0.9804 0.0064 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4186 -1.2863 -0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -1.8637 0.3004 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 -2.0811 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -1.1315 -1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8275 -0.3809 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1357 0.7951 -0.1274 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 1.0274 0.0282 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 -0.1519 0.1178 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 1.2165 -0.0382 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1089 1.7641 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 2.8101 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 0.2396 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3133 -0.9877 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 1.4318 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 0.5698 1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -1.8508 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -0.7527 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 -1.2688 -1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3559 2.3284 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7857 1.2225 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 1.6247 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 1.4705 1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 0.7356 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 -0.2549 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 13 1 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 9 2 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 7 6 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 14 13 1 0 0 0 0 14 17 1 0 0 0 0 15 22 1 0 0 0 0 15 20 1 0 0 0 0 15 13 1 0 0 0 0 16 24 1 0 0 0 0 16 23 1 0 0 0 0 16 25 1 0 0 0 0 19 14 1 0 0 0 0 21 15 1 0 0 0 0 M END $$$$ fragment22_center-C5-C13 CandideChampion 19 19 0 0 0 0 0 0 0 0999 V2000 2.7800 0.4873 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -0.8500 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 -1.8310 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 -1.6360 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2031 -0.4025 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 1.0821 -0.0635 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 1.3237 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 1.0275 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 2.2966 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 -1.0774 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4041 -2.8222 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 -2.4990 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 -0.2108 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 -1.4042 0.5662 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 0.3992 1.6980 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 0.6620 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 1.6721 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3109 0.7365 -0.1378 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 0.0739 -1.7399 F 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 4 5 2 0 0 0 0 5 13 1 0 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 7 9 1 0 0 0 0 8 7 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 18 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 19 16 1 0 0 0 0 M END $$$$ fragment23_center-C10-C13 CandideChampion 19 18 0 0 1 0 0 0 0 0999 V2000 2.1911 -0.4789 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -0.5227 0.0101 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 0.4148 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -0.4849 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -1.3702 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -1.8851 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 -2.4555 -0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8242 -1.8754 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1232 -2.3350 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 0.5861 -0.0458 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7770 1.6825 -0.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 2.4738 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4593 0.8208 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 -0.3054 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 1.4962 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 1.4240 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -0.8994 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 0.1610 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 -0.9565 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 1 1 0 0 0 0 4 1 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 10 11 1 1 0 0 0 10 13 1 0 0 0 0 10 2 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 M RAD 1 10 2 M END $$$$ fragment24_center-C1-C12 CandideChampion 23 24 0 0 0 0 0 0 0 0999 V2000 -0.7637 0.7338 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 -0.3265 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 -0.8251 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2227 -0.2567 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 0.7962 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 1.2826 -0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4177 -0.7364 0.7329 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 -1.6433 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1256 1.2115 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 2.1049 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0841 -0.7641 0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 1.3043 -0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 0.6284 -0.4048 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6472 1.2044 -2.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 2.3574 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1982 -0.4974 -0.8944 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 -0.8074 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 0.0958 1.0512 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 1.0138 0.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 -1.9844 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 -2.2935 0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9288 -1.7311 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 -2.8121 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 6 1 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 12 15 1 0 0 0 0 12 1 1 0 0 0 0 12 13 1 0 0 0 0 13 19 1 0 0 0 0 14 12 1 0 0 0 0 16 13 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 20 21 1 0 0 0 0 22 20 1 0 0 0 0 23 20 1 0 0 0 0 M END $$$$ fragment25_center-C5-C12 CandideChampion 18 17 0 0 0 0 0 0 0 0999 V2000 0.6165 1.7548 -0.6883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 0.9905 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 2.6768 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 1.4618 0.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -0.4728 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -0.9759 -0.0126 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1364 -0.1809 0.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 -0.7618 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 0.8218 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 0.0659 0.0792 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 -1.8463 0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 -1.4911 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 -0.9510 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 -2.2034 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 -2.0531 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 -0.2198 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 -1.7816 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 -0.4764 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 2 4 2 0 0 0 0 5 6 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 12 5 1 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 13 18 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 M END $$$$ fragment26_center-C2-C5 CandideChampion 16 15 0 0 1 0 0 0 0 0999 V2000 -1.9333 0.7707 0.3502 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1343 -0.2421 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 0.3628 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 -1.3795 -0.2027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 0.2081 -0.3859 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5939 1.6186 -0.1858 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 1.8657 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 2.1965 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 -0.6601 0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -0.0265 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -0.4685 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 -1.7063 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1408 -0.4031 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 -0.7474 -1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3773 -1.0986 0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 0.5726 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 1 1 0 0 0 0 4 2 2 0 0 0 0 5 10 1 6 0 0 0 5 6 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 8 6 1 0 0 0 0 9 13 1 0 0 0 0 11 16 1 0 0 0 0 11 9 1 0 0 0 0 11 15 1 0 0 0 0 12 9 1 0 0 0 0 14 11 1 0 0 0 0 M END $$$$ fragment27_center-C1-C5 CandideChampion 18 17 0 0 0 0 0 0 0 0999 V2000 -1.6789 -0.5664 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 0.4286 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 0.5381 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 1.1460 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 -0.8588 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 -1.2449 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7796 0.0750 0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 -1.8895 -0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8660 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 -0.5827 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -1.5108 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8907 0.0864 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 -0.8240 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 1.4233 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 0.2423 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5222 2.1163 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 1.8914 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 1.2786 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 1 1 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 9 5 1 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 13 10 1 0 0 0 0 14 16 1 0 0 0 0 14 7 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 M END $$$$ fragment28_center-C2-C7 CandideChampion 16 15 0 0 0 0 0 0 0 0999 V2000 1.3078 1.2720 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 -0.0954 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -0.9744 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 -0.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2346 1.6666 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5256 1.9024 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -0.5976 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 0.4421 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 -1.2473 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 -1.2475 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 -0.2250 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 1.0852 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 1.0848 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9117 -0.8570 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5932 0.5175 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9116 -0.8579 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 2 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 7 1 0 0 0 0 11 8 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 8 1 0 0 0 0 14 11 1 0 0 0 0 M END $$$$ fragment29_center-C12-C14 CandideChampion 20 20 0 0 0 0 0 0 0 0999 V2000 2.3716 -1.0725 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 -1.2982 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0873 -0.2217 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 0.2355 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 1.3100 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5975 1.0884 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -2.3079 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0558 -1.9166 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9435 0.4140 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 2.3294 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 1.9448 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 -0.5924 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6759 -1.7805 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 0.3853 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 1.9080 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1498 0.0742 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1506 0.0756 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 2.2800 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 2.3413 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 2.2782 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 12 13 2 0 0 0 0 14 12 1 0 0 0 0 14 17 1 0 0 0 0 15 14 1 0 0 0 0 15 18 1 0 0 0 0 16 14 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 M END $$$$ fragment30_center-C9-C16 CandideChampion 33 34 0 0 0 0 0 0 0 0999 V2000 5.2300 0.1541 0.5844 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -0.5479 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9462 0.6810 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1546 -0.2564 0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 -1.5092 -0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 -0.0178 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.9329 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 -0.5035 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2092 0.8532 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2586 1.7680 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5867 1.3394 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 2.0678 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 -1.9767 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -1.2605 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 2.8253 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1957 1.4163 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2513 0.3686 -0.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 1.9060 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 2.1469 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 -0.3978 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5316 0.9305 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 -1.4583 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9385 0.3373 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 -0.8182 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5367 -0.1999 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 1.4184 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8902 1.6697 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7879 -0.8608 0.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1705 -0.9145 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4846 0.2142 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 -1.9794 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 -2.1960 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -0.2956 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 1 0 0 0 0 2 6 1 0 0 0 0 2 1 1 0 0 0 0 5 2 2 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 16 18 1 0 0 0 0 17 16 1 0 0 0 0 17 20 1 0 0 0 0 19 16 1 0 0 0 0 20 24 1 0 0 0 0 20 23 1 0 0 0 0 21 17 1 0 0 0 0 21 27 1 0 0 0 0 22 20 1 0 0 0 0 22 31 1 0 0 0 0 25 21 1 0 0 0 0 25 28 1 0 0 0 0 26 21 1 0 0 0 0 28 22 1 0 0 0 0 29 25 1 0 0 0 0 30 25 1 0 0 0 0 32 22 1 0 0 0 0 33 17 1 0 0 0 0 M END $$$$ fragment31_center-C2-C9 CandideChampion 34 35 0 0 0 0 0 0 0 0999 V2000 3.6055 0.6631 1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 0.3256 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7283 1.0003 1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 1.4400 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 -0.2172 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1174 0.3774 -0.9562 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 0.7765 -0.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 0.8153 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 -0.1466 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -0.2557 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4865 0.5212 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 -1.1344 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 -0.7919 0.2322 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6821 0.7164 1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -0.9293 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 -2.1388 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 -2.6948 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 -2.1466 1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 -2.7614 0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 -1.8154 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -3.7309 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 -2.6884 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8167 -0.3652 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 -1.9404 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0073 -2.1198 -0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 0.0917 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 0.5428 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5973 1.8919 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2734 2.3396 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 1.4495 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 1.8197 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 3.3788 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8716 0.1713 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4164 2.5767 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 2 1 1 0 0 0 0 6 7 1 0 0 0 0 6 2 2 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 13 16 1 0 0 0 0 13 10 1 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 20 1 0 0 0 0 17 16 1 0 0 0 0 19 16 1 0 0 0 0 20 24 1 0 0 0 0 22 17 1 0 0 0 0 23 26 1 0 0 0 0 23 20 1 0 0 0 0 25 20 1 0 0 0 0 26 13 1 0 0 0 0 27 23 2 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 30 26 2 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 33 27 1 0 0 0 0 34 28 1 0 0 0 0 M END $$$$ fragment32_center-C4-C14 CandideChampion 33 34 0 0 0 0 0 0 0 0999 V2000 -2.9266 -0.6766 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 -1.5597 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 -1.0635 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 0.3039 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 0.6805 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4264 1.1849 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9994 -2.8845 -0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -3.0614 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 -1.8078 0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 2.2481 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -1.2512 -0.4115 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8278 -0.5808 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 1.7382 0.0342 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 0.9008 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1127 -0.1327 0.4643 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 1.6460 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.3692 1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 0.4116 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 -0.6552 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 -0.8151 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 -0.7317 0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 1.1089 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.1042 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1798 0.3106 -1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2277 2.1454 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 1.1404 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 -0.2683 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 0.9349 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8638 -0.5077 -1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 0.5142 0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 -1.0824 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 -1.6524 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6734 -0.9319 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 11 12 1 0 0 0 0 11 1 1 0 0 0 0 13 5 1 0 0 0 0 14 17 1 0 0 0 0 15 14 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 14 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 15 1 0 0 0 0 21 33 1 0 0 0 0 22 25 1 0 0 0 0 22 18 1 0 0 0 0 24 22 1 0 0 0 0 24 27 1 0 0 0 0 26 22 1 0 0 0 0 27 30 1 0 0 0 0 27 21 1 0 0 0 0 28 24 1 0 0 0 0 29 24 1 0 0 0 0 31 27 1 0 0 0 0 32 21 1 0 0 0 0 M END $$$$ fragment33_center-C4-C12 CandideChampion 31 32 0 0 0 0 0 0 0 0999 V2000 3.7760 -1.1736 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5515 -1.8128 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -1.1460 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 0.1782 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 0.1377 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 0.8013 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 1.8129 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5277 -2.8368 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -1.6641 -0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 -1.6926 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 0.6422 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0622 0.9417 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 0.1205 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0805 1.1868 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.2797 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 -0.3864 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -1.1607 1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4924 -1.4368 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -0.1657 -1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7596 -0.9358 -1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -0.1723 2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.2076 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -1.1469 -2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -1.5438 1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3824 -2.0358 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 2.8501 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2211 3.1148 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 2.0744 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 3.3228 1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1478 2.5909 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 4.0724 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 13 16 2 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 12 1 0 0 0 0 16 21 1 0 0 0 0 17 16 1 0 0 0 0 17 24 1 0 0 0 0 18 17 2 0 0 0 0 19 13 1 0 0 0 0 20 19 2 0 0 0 0 20 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 25 18 1 0 0 0 0 27 29 1 0 0 0 0 28 15 1 0 0 0 0 30 27 1 0 0 0 0 31 27 1 0 0 0 0 M END $$$$ fragment34_center-C3-C9 CandideChampion 19 19 0 0 0 0 0 0 0 0999 V2000 -2.1890 -1.1648 0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8616 -0.6565 0.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.4065 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1275 0.7825 -0.8760 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 -0.4740 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -1.0652 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 -2.0017 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 -0.6438 -0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 1.2077 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 0.7527 0.5397 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.1175 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 2.2674 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 -0.2982 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 0.9846 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5102 -0.7747 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 -0.7778 -0.9995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4681 -1.8643 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 -0.3569 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 -0.4921 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 9 3 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 13 10 1 0 0 0 0 13 15 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 13 2 0 0 0 0 19 15 1 0 0 0 0 M END $$$$ fragment35_center-C2-C6 CandideChampion 24 24 0 0 1 0 0 0 0 0999 V2000 3.1708 0.8639 1.0325 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 0.1749 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 1.3603 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 1.2027 1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 0.0197 -0.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -0.4597 -0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 -0.3165 0.3390 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5565 -0.0964 -1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 -1.5303 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 -1.5020 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 -0.9587 0.0091 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2893 0.8136 0.0283 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8633 -0.3029 1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 0.4400 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 -2.6791 0.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 1.3994 -0.1579 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 -1.7489 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 -2.7974 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 -1.5335 -1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5542 -1.5077 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 2.1870 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 2.3603 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 2.4190 1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 2.8397 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 1 0 0 0 8 6 1 0 0 0 0 9 6 1 0 0 0 0 10 15 2 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 21 1 0 0 0 0 12 7 1 0 0 0 0 14 11 1 0 0 0 0 14 12 1 0 0 0 0 16 14 2 0 0 0 0 17 18 1 0 0 0 0 17 11 1 0 0 0 0 17 20 1 0 0 0 0 19 17 1 0 0 0 0 21 23 1 0 0 0 0 22 21 1 0 0 0 0 24 21 1 0 0 0 0 M END $$$$ fragment36_center-C4-C12 CandideChampion 19 19 0 0 0 0 0 0 0 0999 V2000 -2.2419 -0.5040 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -1.5893 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 -1.3540 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 -0.0569 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3757 1.0067 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 0.8038 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 1.6496 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 -2.6027 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 -2.2044 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9549 -0.7708 0.0406 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 2.6442 -0.0240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 0.2338 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0527 -1.2538 -0.1372 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 0.8724 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 0.7982 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6164 -0.4556 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3959 -1.2177 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 -0.0560 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 0.3419 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 2 2 0 0 0 0 5 11 1 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 12 4 1 0 0 0 0 12 15 1 0 0 0 0 13 12 1 0 0 0 0 13 16 1 0 0 0 0 14 12 1 0 0 0 0 16 18 1 0 0 0 0 17 16 1 0 0 0 0 19 16 1 0 0 0 0 M END $$$$ fragment37_center-C3-C26 CandideChampion 29 30 0 0 0 0 0 0 0 0999 V2000 4.2461 -0.8132 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 0.4533 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 0.5688 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 -0.5740 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 -1.9541 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 -1.8361 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 1.3363 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -2.9343 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -2.7182 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9712 -0.9533 -0.0071 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -0.4345 0.3144 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -1.3111 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 0.4072 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -2.4019 -0.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2804 -0.8085 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 0.5485 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 0.9638 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9413 0.0157 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.7506 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 -1.3409 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5937 0.5296 0.1430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 1.2845 -0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 -2.8009 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4232 -2.0626 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2017 2.0090 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 1.9299 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 2.9088 -0.1464 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8116 2.0246 -1.0859 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 2.2118 1.0706 F 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 2 1 0 0 0 0 10 1 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 11 1 0 0 0 0 14 12 2 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 18 20 2 0 0 0 0 19 23 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 22 16 1 0 0 0 0 25 17 1 0 0 0 0 26 3 1 0 0 0 0 26 29 1 0 0 0 0 27 26 1 0 0 0 0 28 26 1 0 0 0 0 M END $$$$ fragment38_center-C13-C15 CandideChampion 28 29 0 0 0 0 0 0 0 0999 V2000 4.5224 1.5207 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3209 0.4842 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 1.4069 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 0.2423 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 -0.7837 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -0.6640 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 0.1582 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 2.2147 -0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9835 2.4207 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 0.5757 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -1.6596 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -1.4606 1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -0.8947 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 1.0356 0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 -2.1628 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9117 -2.1486 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -3.0392 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 -2.2942 -1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.8085 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 0.3358 -0.1717 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 -1.7468 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1474 0.2609 -0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9406 -0.6314 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2095 -0.2710 0.5742 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2586 0.8801 -0.1891 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0158 1.1902 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -1.4647 1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 2.0363 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 6 5 1 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 13 19 1 0 0 0 0 13 7 2 0 0 0 0 15 17 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 27 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 26 22 1 0 0 0 0 28 26 1 0 0 0 0 M RAD 2 19 2 20 2 M END $$$$ fragment39_center-C15-C23 CandideChampion 26 27 0 0 0 0 0 0 0 0999 V2000 -0.6641 -1.9452 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -2.2548 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1047 -1.3795 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 -3.3152 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 -2.0694 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9655 0.0950 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8992 -1.4737 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 -1.7144 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 -0.4572 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0238 -2.4394 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 -2.3556 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 0.4409 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 0.7343 0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4079 0.2441 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 0.3284 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 1.6695 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0029 1.7191 -0.0588 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 2.9359 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 3.7811 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 3.0842 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 2.8798 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 2.5692 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 -0.1245 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 -1.4680 0.0586 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 0.2927 -1.0597 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 0.3489 1.1002 F 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 6 13 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 12 6 1 0 0 0 0 12 9 2 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 15 23 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 17 12 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 18 1 0 0 0 0 21 18 1 0 0 0 0 22 16 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 25 23 1 0 0 0 0 M END $$$$ fragment40_center-C4-C12 CandideChampion 26 27 0 0 0 0 0 0 0 0999 V2000 -3.7718 -0.4618 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 0.2368 -1.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 0.4079 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5086 -0.1254 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7543 -0.9940 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 -0.8221 1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 0.9579 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -1.5383 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 -1.2395 2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 -0.5942 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 0.6508 -2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3065 0.0315 1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 0.7761 0.8867 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 0.5650 2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 -0.9515 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 2.1380 0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 2.4087 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 1.2627 -0.5686 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 0.2918 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 2.7646 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 3.3653 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 -1.3999 -0.5080 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 -1.6601 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -2.6715 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 -1.5701 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 -0.9370 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 3 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 12 1 0 0 0 0 16 20 1 0 0 0 0 17 16 2 0 0 0 0 18 19 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 21 17 1 0 0 0 0 22 23 1 0 0 0 0 22 19 1 0 0 0 0 23 25 1 0 0 0 0 24 23 1 0 0 0 0 26 23 1 0 0 0 0 M END $$$$ fragment41_center-C4-C12 CandideChampion 34 35 0 0 0 0 0 0 0 0999 V2000 -5.1595 -0.3573 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 0.5700 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 0.8351 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4568 0.2315 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -0.6868 1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5133 -0.9621 0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0046 1.0429 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -1.1705 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 -1.6725 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6298 1.5472 -1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8406 -0.6855 -0.3735 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 0.5033 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 1.4932 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 0.8819 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.4408 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 1.7193 0.1685 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8096 2.4648 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 1.1183 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 0.7093 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 2.1897 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -0.2391 -0.8426 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 0.9180 0.4905 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 0.1572 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 1.8846 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6268 0.8149 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 -1.2349 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5082 -1.9453 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -1.2942 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 0.0918 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4550 -3.0222 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 -1.8577 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -1.7469 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6684 1.8955 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 0.6147 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 2 1 0 0 0 0 10 3 1 0 0 0 0 11 1 1 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 13 16 1 0 0 0 0 13 12 1 0 0 0 0 15 12 1 0 0 0 0 16 20 1 0 0 0 0 18 13 1 0 0 0 0 19 16 1 0 0 0 0 19 22 1 0 0 0 0 21 19 2 0 0 0 0 22 24 1 0 0 0 0 23 22 1 0 0 0 0 25 23 1 0 0 0 0 25 33 1 0 0 0 0 26 32 1 0 0 0 0 26 23 2 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 28 29 1 0 0 0 0 29 25 2 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 34 29 1 0 0 0 0 M END $$$$ fragment42_center-C18-C21 CandideChampion 27 27 0 0 0 0 0 0 0 0999 V2000 -1.9958 -0.2754 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 -1.5132 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -1.5534 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7714 -0.3595 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 0.9393 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 0.8715 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9421 -2.4225 -0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -2.5117 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 2.2851 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 1.7893 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 -0.2893 -0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9954 -1.0775 -0.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 0.4778 0.7233 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4203 2.5001 1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 2.3289 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 3.0617 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -0.4617 0.1935 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.4992 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -1.3992 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 1.6416 -0.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5608 0.0527 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8657 -1.3833 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 0.2509 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 0.7609 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 -1.5944 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 -1.5475 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4358 -2.1128 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 14 1 0 0 0 0 11 1 1 0 0 0 0 11 13 2 0 0 0 0 12 11 2 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 17 1 0 0 0 0 20 18 2 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 22 25 1 0 0 0 0 23 21 1 0 0 0 0 27 22 1 0 0 0 0 M END $$$$ fragment43_center-C12-C14 CandideChampion 29 30 0 0 0 0 0 0 0 0999 V2000 -3.1550 1.0574 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 0.0440 0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2257 0.9787 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3444 -0.0954 -0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 -1.1206 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 -1.0457 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3985 2.2547 0.0034 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 1.8941 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1829 -0.1377 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 -1.9793 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 0.0986 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3484 -2.1959 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 -3.3437 -0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 -1.9632 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5561 -0.5645 0.1373 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 -2.4562 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 -2.5220 -0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 -0.2645 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 -0.0115 -0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.1794 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 1.0329 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 -0.8216 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 -2.1902 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 0.4717 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 1.3909 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -1.5386 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 1.7556 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 2.3919 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 0.9094 -0.1870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 14 1 0 0 0 0 13 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 18 20 2 0 0 0 0 19 15 1 0 0 0 0 20 23 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 22 26 1 0 0 0 0 24 22 2 0 0 0 0 25 21 2 0 0 0 0 25 24 1 0 0 0 0 27 21 1 0 0 0 0 28 25 1 0 0 0 0 29 24 1 0 0 0 0 M END $$$$ fragment44_center-C4-C14 CandideChampion 26 27 0 0 0 0 0 0 0 0999 V2000 -3.3056 -0.4798 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 -1.1744 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -0.5438 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 0.7824 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 0.8449 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0298 1.4688 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 -1.1308 0.4497 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -0.5034 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4997 -1.9020 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 1.3972 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 -2.2071 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 -1.1091 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 2.5000 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 1.5093 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7105 0.6672 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 1.8459 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 2.4095 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -0.1623 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 -0.9719 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9412 -1.0123 0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3296 0.6330 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 -0.2099 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 -0.2454 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8056 -0.1819 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 -1.6207 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.2534 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 10 5 1 0 0 0 0 13 6 1 0 0 0 0 14 15 1 0 0 0 0 14 4 1 0 0 0 0 14 17 1 0 0 0 0 15 21 2 0 0 0 0 16 14 1 0 0 0 0 18 19 2 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 M END $$$$ fragment45_center-C3-C9 CandideChampion 29 31 0 0 0 0 0 0 0 0999 V2000 -0.5387 1.0224 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9719 -0.3265 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -0.6390 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 0.4171 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 1.7413 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 2.0747 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 2.5419 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2329 0.1831 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -2.0428 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -2.3503 -0.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -2.7504 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4679 -2.0909 1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 -3.2582 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8668 1.3659 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 3.4032 0.1392 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2769 3.6194 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 4.0635 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9213 0.3632 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0793 -1.6731 -0.4104 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 -1.0164 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 2.4828 -0.8073 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2262 0.8301 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 -0.0646 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 -1.9191 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -1.4444 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 1.9012 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 0.3041 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 -2.9855 0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8057 -2.1490 0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 5 4 1 0 0 0 0 5 7 1 0 0 0 0 6 5 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 9 1 0 0 0 0 14 18 1 0 0 0 0 14 1 1 0 0 0 0 15 6 1 0 0 0 0 16 15 1 0 0 0 0 17 15 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 2 1 0 0 0 0 20 24 1 0 0 0 0 21 14 2 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 25 29 1 0 0 0 0 26 22 1 0 0 0 0 M END $$$$ fragment46_center-C3-C12 CandideChampion 31 33 0 0 1 0 0 0 0 0999 V2000 4.5315 -0.4938 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 -1.2654 -0.8379 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -0.5797 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 0.6558 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 0.5898 0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 1.5264 1.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 1.7720 2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0525 1.0596 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4119 2.4433 0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -0.8023 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 1.4886 -0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -1.1132 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.5154 -0.0856 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3409 -2.1887 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -0.9721 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 0.9863 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 -1.1579 0.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0631 -0.7615 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2201 1.4305 -0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 1.5116 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 1.2544 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 -0.5983 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3283 0.6751 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 1.1870 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 0.4591 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -0.7969 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 -1.3183 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6301 2.1676 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7121 0.8669 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -2.2954 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5347 -1.3666 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 6 0 0 0 13 16 1 0 0 0 0 13 12 1 0 0 0 0 13 17 1 0 0 0 0 14 12 1 0 0 0 0 16 21 1 0 0 0 0 19 23 1 0 0 0 0 19 16 1 0 0 0 0 20 16 1 0 0 0 0 22 27 1 0 0 0 0 22 17 1 0 0 0 0 23 22 2 0 0 0 0 24 25 2 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 26 31 1 0 0 0 0 26 27 2 0 0 0 0 27 30 1 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 M END $$$$ fragment47_center-C16-C18 CandideChampion 22 22 0 0 0 0 0 0 0 0999 V2000 -4.0869 0.2383 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 -1.0268 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 -1.3244 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -0.3622 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 0.9076 0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 1.2081 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1472 0.4744 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3565 -1.7790 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 -2.3052 -0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4993 2.1962 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 1.6686 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 -0.7016 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 0.3140 -0.7451 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3152 -1.6658 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 -0.7528 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 1.0650 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5989 2.2607 0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 0.3886 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -1.3739 0.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8141 0.9822 0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 0.5143 1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2591 -1.2845 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 6 5 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 12 15 1 0 0 0 0 13 12 1 0 0 0 0 13 16 1 0 0 0 0 14 12 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 21 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 22 19 1 0 0 0 0 M END $$$$ fragment48_center-C1-C9 CandideChampion 35 36 0 0 0 0 0 0 0 0999 V2000 -3.7228 -0.2440 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0932 -1.4481 -0.4108 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8955 -2.6215 -0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 -1.4780 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2698 -3.5077 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2718 -2.5402 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7406 -2.6917 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9297 -0.0941 -0.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8988 1.0208 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 0.8859 0.1551 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 1.7192 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2854 1.4628 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 0.2058 1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6848 2.2018 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 0.3163 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 1.9014 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1434 2.7931 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 2.7076 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 0.3814 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 0.6792 2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2857 -0.8423 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0838 0.5637 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 0.0482 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 -1.0536 0.7046 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 -1.5644 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7541 -0.9939 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 0.1501 -1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 0.6906 -0.9061 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9879 1.9111 -1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 2.6740 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 1.2471 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9502 -0.5096 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 -2.4546 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7247 -1.4171 -0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 0.6634 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 3 2 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 6 3 1 0 0 0 0 8 1 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 9 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 10 1 0 0 0 0 14 18 1 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 16 30 1 0 0 0 0 16 22 1 0 0 0 0 17 14 1 0 0 0 0 19 32 1 0 0 0 0 19 31 1 0 0 0 0 21 13 1 0 0 0 0 22 19 1 0 0 0 0 23 22 1 0 0 0 0 23 24 2 0 0 0 0 25 24 1 0 0 0 0 25 33 1 0 0 0 0 26 25 2 0 0 0 0 27 28 2 0 0 0 0 27 26 1 0 0 0 0 28 23 1 0 0 0 0 29 16 1 0 0 0 0 34 26 1 0 0 0 0 35 27 1 0 0 0 0 M END $$$$ fragment49_center-C4-C13 CandideChampion 22 22 0 0 0 0 0 0 0 0999 V2000 2.2228 0.3597 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 1.3531 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1407 1.1231 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 -0.3381 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 -1.3026 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 -1.0602 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 0.4394 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 0.5870 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 1.2079 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 2.3865 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 1.7077 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3185 1.5052 -1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 -0.7266 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0793 -2.3394 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -1.2295 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3742 -1.7957 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0016 0.4304 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -1.3952 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 -1.3165 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0197 0.0385 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 1.0528 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9662 1.0717 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 5 14 1 0 0 0 0 6 5 1 0 0 0 0 6 15 1 0 0 0 0 7 1 1 0 0 0 0 10 2 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 13 19 1 0 0 0 0 16 6 1 0 0 0 0 17 13 1 0 0 0 0 17 22 1 0 0 0 0 18 13 1 0 0 0 0 20 17 1 0 0 0 0 21 17 1 0 0 0 0 M END $$$$ fragment50_center-C3-C8 CandideChampion 25 27 0 0 0 0 0 0 0 0999 V2000 -3.5034 -0.7191 1.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 -0.6837 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 0.1290 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0067 0.5933 -0.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4611 0.0732 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5931 -1.2510 2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -1.1723 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 0.5805 -1.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4634 0.3551 1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 0.0229 -1.7052 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 0.2663 -2.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 1.6702 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 0.4470 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -0.9731 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -0.3342 -0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 0.2141 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1282 1.4054 1.0457 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.0461 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 1.6354 -0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 -1.6154 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 -0.8411 0.7395 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8517 3.0193 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -1.9924 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 -2.2215 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 -2.9092 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 5 1 2 0 0 0 0 8 3 1 0 0 0 0 10 8 1 0 0 0 0 10 13 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 16 17 2 0 0 0 0 18 17 1 0 0 0 0 18 22 1 0 0 0 0 19 18 2 0 0 0 0 20 15 1 0 0 0 0 20 23 2 0 0 0 0 23 21 1 0 0 0 0 24 20 1 0 0 0 0 25 23 1 0 0 0 0 M END $$$$