PDB files for the six low-energy structures of the hexamer of (S) Beta-proline. REMARK (S)cis-Eq(-150) ATOM 1 N SBP 0 0.1520-12.2014 -0.1159 0.00 0.00 0 ATOM 2 C SBP 0 -0.0641-11.4293 -1.3327 0.00 0.00 0 ATOM 3 C SBP 0 0.6975-10.1318 -1.0664 0.00 0.00 0 ATOM 4 C SBP 0 0.6120 -9.9808 0.4636 0.00 0.00 0 ATOM 5 C SBP 0 0.7790-11.4244 0.9471 0.00 0.00 0 ATOM 6 H SBP 0 0.3042-11.9659 -2.1956 0.00 0.00 0 ATOM 7 H SBP 0 -1.1239-11.2507 -1.4855 0.00 0.00 0 ATOM 8 H SBP 0 1.7378-10.2381 -1.3553 0.00 0.00 0 ATOM 9 H SBP 0 0.2818 -9.2888 -1.6054 0.00 0.00 0 ATOM 10 H SBP 0 -0.3808 -9.6376 0.7296 0.00 0.00 0 ATOM 11 H SBP 0 1.8289-11.6618 1.0566 0.00 0.00 0 ATOM 12 H SBP 0 0.2887-11.5845 1.8994 0.00 0.00 0 ATOM 13 C SBP 0 -0.1767-13.5120 -0.0735 0.00 0.00 0 ATOM 14 O SBP 0 -0.6883-14.0647 -1.0126 0.00 0.00 0 ATOM 15 C SBP 0 0.1199-14.2518 1.2146 0.00 0.00 0 ATOM 16 H SBP 0 -0.5075-13.8828 2.0200 0.00 0.00 0 ATOM 17 H SBP 0 1.1540-14.1298 1.5174 0.00 0.00 0 ATOM 18 H SBP 0 -0.0900-15.2993 1.0574 0.00 0.00 0 ATOM 19 C SBP 0 1.6747 -9.0456 1.0202 0.00 0.00 0 ATOM 20 O SBP 0 2.7863 -9.4470 1.2618 0.00 0.00 0 ATOM 21 N SBP 0 1.3396 -7.7529 1.2036 0.00 0.00 0 ATOM 22 C SBP 0 2.3235 -6.8197 1.7431 0.00 0.00 0 ATOM 23 C SBP 0 1.4950 -5.5767 2.0591 0.00 0.00 0 ATOM 24 C SBP 0 0.3732 -5.6259 1.0065 0.00 0.00 0 ATOM 25 C SBP 0 0.0492 -7.1211 0.9365 0.00 0.00 0 ATOM 26 H SBP 0 2.8072 -7.2393 2.6134 0.00 0.00 0 ATOM 27 H SBP 0 3.0934 -6.6152 1.0061 0.00 0.00 0 ATOM 28 H SBP 0 1.0582 -5.6548 3.0490 0.00 0.00 0 ATOM 29 H SBP 0 2.0821 -4.6670 2.0194 0.00 0.00 0 ATOM 30 H SBP 0 0.7722 -5.3103 0.0498 0.00 0.00 0 ATOM 31 H SBP 0 -0.3359 -7.3965 -0.0366 0.00 0.00 0 ATOM 32 H SBP 0 -0.6865 -7.3772 1.6865 0.00 0.00 0 ATOM 33 C SBP 0 -0.8328 -4.7834 1.3956 0.00 0.00 0 ATOM 34 O SBP 0 -1.6839 -5.2271 2.1263 0.00 0.00 0 ATOM 35 N SBP 0 -0.8979 -3.5241 0.9218 0.00 0.00 0 ATOM 36 C SBP 0 -2.0410 -2.6813 1.2592 0.00 0.00 0 ATOM 37 C SBP 0 -1.8884 -1.4875 0.3197 0.00 0.00 0 ATOM 38 C SBP 0 -0.3643 -1.3813 0.1324 0.00 0.00 0 ATOM 39 C SBP 0 0.0636 -2.8496 0.0518 0.00 0.00 0 ATOM 40 H SBP 0 -2.9658 -3.2205 1.1132 0.00 0.00 0 ATOM 41 H SBP 0 -1.9953 -2.3832 2.3017 0.00 0.00 0 ATOM 42 H SBP 0 -2.3514 -1.6986 -0.6383 0.00 0.00 0 ATOM 43 H SBP 0 -2.3360 -0.5861 0.7204 0.00 0.00 0 ATOM 44 H SBP 0 0.0710 -0.9389 1.0205 0.00 0.00 0 ATOM 45 H SBP 0 -0.0036 -3.2002 -0.9689 0.00 0.00 0 ATOM 46 H SBP 0 1.0795 -2.9843 0.3999 0.00 0.00 0 ATOM 47 C SBP 0 0.0203 -0.5920 -1.1107 0.00 0.00 0 ATOM 48 O SBP 0 0.0656 -1.1281 -2.1903 0.00 0.00 0 ATOM 49 N SBP 0 0.2762 0.7223 -0.9653 0.00 0.00 0 ATOM 50 C SBP 0 0.6597 1.5185 -2.1273 0.00 0.00 0 ATOM 51 C SBP 0 1.1372 2.8319 -1.5125 0.00 0.00 0 ATOM 52 C SBP 0 0.2875 2.9507 -0.2346 0.00 0.00 0 ATOM 53 C SBP 0 0.2407 1.5049 0.2686 0.00 0.00 0 ATOM 54 H SBP 0 1.4262 1.0132 -2.6968 0.00 0.00 0 ATOM 55 H SBP 0 -0.1933 1.6654 -2.7819 0.00 0.00 0 ATOM 56 H SBP 0 2.1846 2.7627 -1.2391 0.00 0.00 0 ATOM 57 H SBP 0 1.0185 3.6713 -2.1870 0.00 0.00 0 ATOM 58 H SBP 0 -0.7155 3.2593 -0.5043 0.00 0.00 0 ATOM 59 H SBP 0 -0.6606 1.3136 0.8365 0.00 0.00 0 ATOM 60 H SBP 0 1.0971 1.3029 0.8970 0.00 0.00 0 ATOM 61 C SBP 0 0.8926 3.9042 0.7855 0.00 0.00 0 ATOM 62 O SBP 0 1.7415 3.5253 1.5540 0.00 0.00 0 ATOM 63 N SBP 0 0.4696 5.1831 0.7773 0.00 0.00 0 ATOM 64 C SBP 0 1.0128 6.1321 1.7447 0.00 0.00 0 ATOM 65 C SBP 0 0.0890 7.3401 1.6100 0.00 0.00 0 ATOM 66 C SBP 0 -0.3471 7.2854 0.1347 0.00 0.00 0 ATOM 67 C SBP 0 -0.5316 5.7834 -0.1017 0.00 0.00 0 ATOM 68 H SBP 0 1.0103 5.7050 2.7371 0.00 0.00 0 ATOM 69 H SBP 0 2.0397 6.3789 1.4954 0.00 0.00 0 ATOM 70 H SBP 0 -0.7830 7.2219 2.2442 0.00 0.00 0 ATOM 71 H SBP 0 0.5799 8.2676 1.8791 0.00 0.00 0 ATOM 72 H SBP 0 0.4662 7.6399 -0.4874 0.00 0.00 0 ATOM 73 H SBP 0 -1.5350 5.4857 0.1701 0.00 0.00 0 ATOM 74 H SBP 0 -0.3602 5.5229 -1.1382 0.00 0.00 0 ATOM 75 C SBP 0 -1.6188 8.0781 -0.1302 0.00 0.00 0 ATOM 76 O SBP 0 -2.7024 7.5861 0.0626 0.00 0.00 0 ATOM 77 N SBP 0 -1.4895 9.3504 -0.5570 0.00 0.00 0 ATOM 78 C SBP 0 -2.6836 10.1501 -0.8225 0.00 0.00 0 ATOM 79 C SBP 0 -2.1358 11.3786 -1.5449 0.00 0.00 0 ATOM 80 C SBP 0 -0.7285 11.5271 -0.9436 0.00 0.00 0 ATOM 81 C SBP 0 -0.2499 10.0820 -0.8033 0.00 0.00 0 ATOM 82 H SBP 0 -3.3905 9.5883 -1.4153 0.00 0.00 0 ATOM 83 H SBP 0 -3.1730 10.4165 0.1085 0.00 0.00 0 ATOM 84 H SBP 0 -2.0634 11.1847 -2.6110 0.00 0.00 0 ATOM 85 H SBP 0 -2.7466 12.2595 -1.4033 0.00 0.00 0 ATOM 86 H SBP 0 -0.8191 11.9837 0.0372 0.00 0.00 0 ATOM 87 H SBP 0 0.4528 9.9719 0.0117 0.00 0.00 0 ATOM 88 H SBP 0 0.2356 9.7552 -1.7147 0.00 0.00 0 ATOM 89 C SBP 0 0.1973 12.3926 -1.7623 0.00 0.00 0 ATOM 90 O SBP 0 1.1772 12.0112 -2.3176 0.00 0.00 0 ATOM 91 O SBP 0 -0.2213 13.6459 -1.7916 0.00 0.00 0 ATOM 92 C SBP 0 0.5538 14.5708 -2.5390 0.00 0.00 0 ATOM 93 H SBP 0 0.5978 14.2744 -3.5766 0.00 0.00 0 ATOM 94 H SBP 0 0.0527 15.5204 -2.4401 0.00 0.00 0 ATOM 95 H SBP 0 1.5560 14.6306 -2.1406 0.00 0.00 0 END REMARK (S)cis-Ax(-85) ATOM 1 N SBP 0 -0.3335 -5.6158 -1.0268 0.00 0.00 0 ATOM 2 C SBP 0 0.8006 -6.4068 -1.4936 0.00 0.00 0 ATOM 3 C SBP 0 1.8686 -5.3555 -1.7941 0.00 0.00 0 ATOM 4 C SBP 0 1.5353 -4.1778 -0.8691 0.00 0.00 0 ATOM 5 C SBP 0 -0.0067 -4.2178 -0.7981 0.00 0.00 0 ATOM 6 H SBP 0 1.1228 -7.0912 -0.7213 0.00 0.00 0 ATOM 7 H SBP 0 0.5224 -6.9835 -2.3652 0.00 0.00 0 ATOM 8 H SBP 0 2.8690 -5.7335 -1.6382 0.00 0.00 0 ATOM 9 H SBP 0 1.7842 -5.0217 -2.8240 0.00 0.00 0 ATOM 10 H SBP 0 1.8660 -3.2386 -1.2947 0.00 0.00 0 ATOM 11 H SBP 0 -0.3873 -3.8728 0.1541 0.00 0.00 0 ATOM 12 H SBP 0 -0.4325 -3.5825 -1.5683 0.00 0.00 0 ATOM 13 C SBP 0 -1.5412 -6.1913 -0.8342 0.00 0.00 0 ATOM 14 O SBP 0 -1.7283 -7.3594 -1.0616 0.00 0.00 0 ATOM 15 C SBP 0 -2.6489 -5.3045 -0.3025 0.00 0.00 0 ATOM 16 H SBP 0 -3.5786 -5.8496 -0.3762 0.00 0.00 0 ATOM 17 H SBP 0 -2.4635 -5.0683 0.7412 0.00 0.00 0 ATOM 18 H SBP 0 -2.7288 -4.3669 -0.8400 0.00 0.00 0 ATOM 19 C SBP 0 2.1403 -4.3533 0.5209 0.00 0.00 0 ATOM 20 O SBP 0 2.5443 -5.4213 0.9046 0.00 0.00 0 ATOM 21 N SBP 0 2.1760 -3.2640 1.3212 0.00 0.00 0 ATOM 22 C SBP 0 2.6401 -3.3885 2.7017 0.00 0.00 0 ATOM 23 C SBP 0 2.5660 -1.9579 3.2454 0.00 0.00 0 ATOM 24 C SBP 0 1.5617 -1.2362 2.3377 0.00 0.00 0 ATOM 25 C SBP 0 1.8148 -1.9007 0.9710 0.00 0.00 0 ATOM 26 H SBP 0 1.9903 -4.0583 3.2447 0.00 0.00 0 ATOM 27 H SBP 0 3.6441 -3.7917 2.7309 0.00 0.00 0 ATOM 28 H SBP 0 2.2742 -1.9356 4.2858 0.00 0.00 0 ATOM 29 H SBP 0 3.5304 -1.4681 3.1517 0.00 0.00 0 ATOM 30 H SBP 0 1.7612 -0.1731 2.2884 0.00 0.00 0 ATOM 31 H SBP 0 0.9514 -1.8657 0.3239 0.00 0.00 0 ATOM 32 H SBP 0 2.6279 -1.3964 0.4566 0.00 0.00 0 ATOM 33 C SBP 0 0.1205 -1.4835 2.7732 0.00 0.00 0 ATOM 34 O SBP 0 -0.1669 -2.3855 3.5175 0.00 0.00 0 ATOM 35 N SBP 0 -0.8356 -0.6791 2.2539 0.00 0.00 0 ATOM 36 C SBP 0 -2.2433 -0.9551 2.5345 0.00 0.00 0 ATOM 37 C SBP 0 -2.9921 0.1625 1.8021 0.00 0.00 0 ATOM 38 C SBP 0 -2.0155 0.6668 0.7311 0.00 0.00 0 ATOM 39 C SBP 0 -0.6461 0.4927 1.4173 0.00 0.00 0 ATOM 40 H SBP 0 -2.5060 -1.9303 2.1527 0.00 0.00 0 ATOM 41 H SBP 0 -2.4284 -0.9482 3.6007 0.00 0.00 0 ATOM 42 H SBP 0 -3.9252 -0.1843 1.3813 0.00 0.00 0 ATOM 43 H SBP 0 -3.2099 0.9787 2.4843 0.00 0.00 0 ATOM 44 H SBP 0 -2.1950 1.7076 0.4928 0.00 0.00 0 ATOM 45 H SBP 0 0.1595 0.3592 0.7108 0.00 0.00 0 ATOM 46 H SBP 0 -0.4113 1.3707 2.0130 0.00 0.00 0 ATOM 47 C SBP 0 -2.0716 -0.1755 -0.5399 0.00 0.00 0 ATOM 48 O SBP 0 -2.5152 -1.2966 -0.5273 0.00 0.00 0 ATOM 49 N SBP 0 -1.5725 0.3661 -1.6714 0.00 0.00 0 ATOM 50 C SBP 0 -1.4907 -0.4442 -2.8866 0.00 0.00 0 ATOM 51 C SBP 0 -0.7682 0.4610 -3.8892 0.00 0.00 0 ATOM 52 C SBP 0 -0.0274 1.4957 -3.0320 0.00 0.00 0 ATOM 53 C SBP 0 -0.9872 1.6862 -1.8421 0.00 0.00 0 ATOM 54 H SBP 0 -0.9284 -1.3423 -2.6853 0.00 0.00 0 ATOM 55 H SBP 0 -2.4793 -0.7298 -3.2221 0.00 0.00 0 ATOM 56 H SBP 0 -0.1033 -0.0991 -4.5313 0.00 0.00 0 ATOM 57 H SBP 0 -1.4859 0.9808 -4.5158 0.00 0.00 0 ATOM 58 H SBP 0 0.1103 2.4257 -3.5677 0.00 0.00 0 ATOM 59 H SBP 0 -0.4784 2.0211 -0.9508 0.00 0.00 0 ATOM 60 H SBP 0 -1.7418 2.4279 -2.0873 0.00 0.00 0 ATOM 61 C SBP 0 1.3134 0.9708 -2.5283 0.00 0.00 0 ATOM 62 O SBP 0 1.5335 -0.2132 -2.4551 0.00 0.00 0 ATOM 63 N SBP 0 2.2304 1.8763 -2.1267 0.00 0.00 0 ATOM 64 C SBP 0 3.4887 1.4187 -1.5375 0.00 0.00 0 ATOM 65 C SBP 0 4.1971 2.7116 -1.1237 0.00 0.00 0 ATOM 66 C SBP 0 3.0807 3.7581 -1.0041 0.00 0.00 0 ATOM 67 C SBP 0 2.1003 3.3243 -2.1113 0.00 0.00 0 ATOM 68 H SBP 0 3.2822 0.7891 -0.6864 0.00 0.00 0 ATOM 69 H SBP 0 4.0587 0.8441 -2.2558 0.00 0.00 0 ATOM 70 H SBP 0 4.7547 2.5905 -0.2056 0.00 0.00 0 ATOM 71 H SBP 0 4.8873 3.0297 -1.8983 0.00 0.00 0 ATOM 72 H SBP 0 3.4550 4.7559 -1.1916 0.00 0.00 0 ATOM 73 H SBP 0 1.0870 3.6394 -1.9115 0.00 0.00 0 ATOM 74 H SBP 0 2.4052 3.7565 -3.0614 0.00 0.00 0 ATOM 75 C SBP 0 2.3863 3.7050 0.3516 0.00 0.00 0 ATOM 76 O SBP 0 2.3749 2.6958 1.0131 0.00 0.00 0 ATOM 77 N SBP 0 1.7605 4.8232 0.7780 0.00 0.00 0 ATOM 78 C SBP 0 1.0023 4.7885 2.0257 0.00 0.00 0 ATOM 79 C SBP 0 0.4224 6.1994 2.1349 0.00 0.00 0 ATOM 80 C SBP 0 0.2954 6.6512 0.6670 0.00 0.00 0 ATOM 81 C SBP 0 1.5512 6.0588 0.0308 0.00 0.00 0 ATOM 82 H SBP 0 0.2237 4.0365 1.9653 0.00 0.00 0 ATOM 83 H SBP 0 1.6418 4.5300 2.8579 0.00 0.00 0 ATOM 84 H SBP 0 -0.5149 6.2307 2.6738 0.00 0.00 0 ATOM 85 H SBP 0 1.1192 6.8573 2.6418 0.00 0.00 0 ATOM 86 H SBP 0 0.2582 7.7301 0.5833 0.00 0.00 0 ATOM 87 H SBP 0 1.4165 5.8763 -1.0232 0.00 0.00 0 ATOM 88 H SBP 0 2.3876 6.7398 0.1592 0.00 0.00 0 ATOM 89 C SBP 0 -0.9670 6.0951 0.0363 0.00 0.00 0 ATOM 90 O SBP 0 -1.0060 5.1955 -0.7451 0.00 0.00 0 ATOM 91 O SBP 0 -2.0386 6.7266 0.4732 0.00 0.00 0 ATOM 92 C SBP 0 -3.3002 6.2987 -0.0201 0.00 0.00 0 ATOM 93 H SBP 0 -3.3392 6.4041 -1.0941 0.00 0.00 0 ATOM 94 H SBP 0 -4.0297 6.9397 0.4477 0.00 0.00 0 ATOM 95 H SBP 0 -3.4790 5.2676 0.2477 0.00 0.00 0 END REMARK (S)cis-Ax(-173) ATOM 1 N SBP 0 0.0500-11.5244 0.0458 0.00 0.00 0 ATOM 2 C SBP 0 0.3926-10.9964 1.3572 0.00 0.00 0 ATOM 3 C SBP 0 0.9960 -9.6301 1.0374 0.00 0.00 0 ATOM 4 C SBP 0 0.2466 -9.1885 -0.2381 0.00 0.00 0 ATOM 5 C SBP 0 0.0682-10.5071 -0.9979 0.00 0.00 0 ATOM 6 H SBP 0 -0.4965-10.9100 1.9724 0.00 0.00 0 ATOM 7 H SBP 0 1.0842-11.6533 1.8658 0.00 0.00 0 ATOM 8 H SBP 0 0.8988 -8.9333 1.8603 0.00 0.00 0 ATOM 9 H SBP 0 2.0524 -9.7316 0.8110 0.00 0.00 0 ATOM 10 H SBP 0 0.8330 -8.4914 -0.8216 0.00 0.00 0 ATOM 11 H SBP 0 -0.8432-10.5077 -1.5742 0.00 0.00 0 ATOM 12 H SBP 0 0.9078-10.6607 -1.6711 0.00 0.00 0 ATOM 13 C SBP 0 -0.4345-12.7808 -0.0684 0.00 0.00 0 ATOM 14 O SBP 0 -0.5081-13.5182 0.8807 0.00 0.00 0 ATOM 15 C SBP 0 -0.8787-13.2232 -1.4469 0.00 0.00 0 ATOM 16 H SBP 0 -0.1357-12.9996 -2.2045 0.00 0.00 0 ATOM 17 H SBP 0 -1.7988-12.7168 -1.7213 0.00 0.00 0 ATOM 18 H SBP 0 -1.0587-14.2877 -1.4181 0.00 0.00 0 ATOM 19 C SBP 0 -1.1012 -8.5563 0.1017 0.00 0.00 0 ATOM 20 O SBP 0 -2.1301 -9.1740 -0.0132 0.00 0.00 0 ATOM 21 N SBP 0 -1.0965 -7.2914 0.5758 0.00 0.00 0 ATOM 22 C SBP 0 -2.3712 -6.6417 0.8577 0.00 0.00 0 ATOM 23 C SBP 0 -1.9622 -5.2708 1.3933 0.00 0.00 0 ATOM 24 C SBP 0 -0.6313 -4.9803 0.6713 0.00 0.00 0 ATOM 25 C SBP 0 0.0272 -6.3610 0.6241 0.00 0.00 0 ATOM 26 H SBP 0 -2.9566 -6.5615 -0.0515 0.00 0.00 0 ATOM 27 H SBP 0 -2.9464 -7.2174 1.5693 0.00 0.00 0 ATOM 28 H SBP 0 -2.7241 -4.5213 1.2234 0.00 0.00 0 ATOM 29 H SBP 0 -1.7819 -5.3235 2.4621 0.00 0.00 0 ATOM 30 H SBP 0 -0.0143 -4.2860 1.2267 0.00 0.00 0 ATOM 31 H SBP 0 0.6682 -6.4568 -0.2360 0.00 0.00 0 ATOM 32 H SBP 0 0.6188 -6.5152 1.5220 0.00 0.00 0 ATOM 33 C SBP 0 -0.8524 -4.4288 -0.7364 0.00 0.00 0 ATOM 34 O SBP 0 -0.6552 -5.1077 -1.7132 0.00 0.00 0 ATOM 35 N SBP 0 -1.3009 -3.1598 -0.8515 0.00 0.00 0 ATOM 36 C SBP 0 -1.3912 -2.5723 -2.1848 0.00 0.00 0 ATOM 37 C SBP 0 -1.7610 -1.1123 -1.9168 0.00 0.00 0 ATOM 38 C SBP 0 -1.1729 -0.8340 -0.5192 0.00 0.00 0 ATOM 39 C SBP 0 -1.4255 -2.1579 0.2011 0.00 0.00 0 ATOM 40 H SBP 0 -0.4361 -2.6613 -2.6887 0.00 0.00 0 ATOM 41 H SBP 0 -2.1278 -3.0870 -2.7869 0.00 0.00 0 ATOM 42 H SBP 0 -1.3890 -0.4515 -2.6887 0.00 0.00 0 ATOM 43 H SBP 0 -2.8391 -0.9962 -1.8754 0.00 0.00 0 ATOM 44 H SBP 0 -1.6856 -0.0228 -0.0181 0.00 0.00 0 ATOM 45 H SBP 0 -0.7197 -2.3166 0.9978 0.00 0.00 0 ATOM 46 H SBP 0 -2.4293 -2.1595 0.6171 0.00 0.00 0 ATOM 47 C SBP 0 0.3214 -0.5188 -0.5659 0.00 0.00 0 ATOM 48 O SBP 0 1.1399 -1.3099 -0.1673 0.00 0.00 0 ATOM 49 N SBP 0 0.7003 0.6693 -1.0851 0.00 0.00 0 ATOM 50 C SBP 0 2.1069 1.0499 -0.9922 0.00 0.00 0 ATOM 51 C SBP 0 2.1250 2.5076 -1.4579 0.00 0.00 0 ATOM 52 C SBP 0 0.7109 3.0209 -1.1197 0.00 0.00 0 ATOM 53 C SBP 0 -0.1516 1.7998 -1.4353 0.00 0.00 0 ATOM 54 H SBP 0 2.4443 0.9488 0.0322 0.00 0.00 0 ATOM 55 H SBP 0 2.7252 0.4079 -1.6051 0.00 0.00 0 ATOM 56 H SBP 0 2.9203 3.0723 -0.9894 0.00 0.00 0 ATOM 57 H SBP 0 2.2717 2.5612 -2.5316 0.00 0.00 0 ATOM 58 H SBP 0 0.4269 3.8610 -1.7407 0.00 0.00 0 ATOM 59 H SBP 0 -1.0700 1.8047 -0.8747 0.00 0.00 0 ATOM 60 H SBP 0 -0.3893 1.7877 -2.4955 0.00 0.00 0 ATOM 61 C SBP 0 0.5696 3.4171 0.3490 0.00 0.00 0 ATOM 62 O SBP 0 -0.0576 2.7364 1.1220 0.00 0.00 0 ATOM 63 N SBP 0 1.1882 4.5450 0.7621 0.00 0.00 0 ATOM 64 C SBP 0 0.9460 5.0092 2.1247 0.00 0.00 0 ATOM 65 C SBP 0 1.6502 6.3657 2.1789 0.00 0.00 0 ATOM 66 C SBP 0 1.6069 6.8622 0.7191 0.00 0.00 0 ATOM 67 C SBP 0 1.8180 5.5670 -0.0658 0.00 0.00 0 ATOM 68 H SBP 0 -0.1199 5.1002 2.2957 0.00 0.00 0 ATOM 69 H SBP 0 1.3358 4.3069 2.8487 0.00 0.00 0 ATOM 70 H SBP 0 1.1805 7.0390 2.8842 0.00 0.00 0 ATOM 71 H SBP 0 2.6856 6.2436 2.4790 0.00 0.00 0 ATOM 72 H SBP 0 2.4018 7.5675 0.5131 0.00 0.00 0 ATOM 73 H SBP 0 1.3779 5.6210 -1.0469 0.00 0.00 0 ATOM 74 H SBP 0 2.8822 5.3759 -0.1709 0.00 0.00 0 ATOM 75 C SBP 0 0.2613 7.4954 0.3714 0.00 0.00 0 ATOM 76 O SBP 0 -0.5579 6.9018 -0.2842 0.00 0.00 0 ATOM 77 N SBP 0 0.0062 8.7351 0.8449 0.00 0.00 0 ATOM 78 C SBP 0 -1.2551 9.3809 0.4882 0.00 0.00 0 ATOM 79 C SBP 0 -1.1756 10.7372 1.1890 0.00 0.00 0 ATOM 80 C SBP 0 0.3360 11.0225 1.2574 0.00 0.00 0 ATOM 81 C SBP 0 0.9265 9.6392 1.5264 0.00 0.00 0 ATOM 82 H SBP 0 -1.3264 9.4826 -0.5890 0.00 0.00 0 ATOM 83 H SBP 0 -2.0968 8.7868 0.8153 0.00 0.00 0 ATOM 84 H SBP 0 -1.5617 10.6620 2.1997 0.00 0.00 0 ATOM 85 H SBP 0 -1.7317 11.5105 0.6775 0.00 0.00 0 ATOM 86 H SBP 0 0.5707 11.7277 2.0461 0.00 0.00 0 ATOM 87 H SBP 0 1.9315 9.5550 1.1458 0.00 0.00 0 ATOM 88 H SBP 0 0.9429 9.4490 2.5954 0.00 0.00 0 ATOM 89 C SBP 0 0.8585 11.6116 -0.0401 0.00 0.00 0 ATOM 90 O SBP 0 1.6211 11.0759 -0.7786 0.00 0.00 0 ATOM 91 O SBP 0 0.3612 12.8177 -0.2532 0.00 0.00 0 ATOM 92 C SBP 0 0.7692 13.4873 -1.4365 0.00 0.00 0 ATOM 93 H SBP 0 0.4829 12.9187 -2.3091 0.00 0.00 0 ATOM 94 H SBP 0 1.8397 13.6309 -1.4379 0.00 0.00 0 ATOM 95 H SBP 0 0.2622 14.4388 -1.4245 0.00 0.00 0 END REMARK (S)trans-Ax(-85) ATOM 1 N SBP 0 0.6908-11.5115 -0.7645 0.00 0.00 0 ATOM 2 C SBP 0 0.2739-11.2502 -2.1388 0.00 0.00 0 ATOM 3 C SBP 0 -0.8530-10.2289 -1.9748 0.00 0.00 0 ATOM 4 C SBP 0 -0.5160 -9.4850 -0.6762 0.00 0.00 0 ATOM 5 C SBP 0 0.1073-10.5909 0.1980 0.00 0.00 0 ATOM 6 H SBP 0 1.0853-10.8337 -2.7204 0.00 0.00 0 ATOM 7 H SBP 0 -0.0741-12.1553 -2.6231 0.00 0.00 0 ATOM 8 H SBP 0 -0.9316 -9.5708 -2.8282 0.00 0.00 0 ATOM 9 H SBP 0 -1.8008-10.7423 -1.8467 0.00 0.00 0 ATOM 10 H SBP 0 -1.4080 -9.0876 -0.2093 0.00 0.00 0 ATOM 11 H SBP 0 0.8667-10.2322 0.8780 0.00 0.00 0 ATOM 12 H SBP 0 -0.6540-11.0869 0.7917 0.00 0.00 0 ATOM 13 C SBP 0 1.5785-12.4429 -0.3512 0.00 0.00 0 ATOM 14 O SBP 0 1.8666-12.5706 0.8114 0.00 0.00 0 ATOM 15 C SBP 0 2.1889-13.3256 -1.4196 0.00 0.00 0 ATOM 16 H SBP 0 2.9264-13.9607 -0.9520 0.00 0.00 0 ATOM 17 H SBP 0 2.6594-12.7360 -2.1988 0.00 0.00 0 ATOM 18 H SBP 0 1.4297-13.9458 -1.8854 0.00 0.00 0 ATOM 19 C SBP 0 0.4781 -8.3547 -0.9195 0.00 0.00 0 ATOM 20 O SBP 0 1.1636 -8.3232 -1.9128 0.00 0.00 0 ATOM 21 N SBP 0 0.5742 -7.4032 0.0311 0.00 0.00 0 ATOM 22 C SBP 0 -0.2137 -7.2893 1.2580 0.00 0.00 0 ATOM 23 C SBP 0 0.4686 -6.1445 2.0074 0.00 0.00 0 ATOM 24 C SBP 0 1.0711 -5.2641 0.9056 0.00 0.00 0 ATOM 25 C SBP 0 1.4988 -6.2939 -0.1578 0.00 0.00 0 ATOM 26 H SBP 0 -0.1904 -8.2086 1.8296 0.00 0.00 0 ATOM 27 H SBP 0 -1.2421 -7.0390 1.0361 0.00 0.00 0 ATOM 28 H SBP 0 1.2732 -6.5343 2.6225 0.00 0.00 0 ATOM 29 H SBP 0 -0.2219 -5.6095 2.6434 0.00 0.00 0 ATOM 30 H SBP 0 1.9295 -4.7148 1.2693 0.00 0.00 0 ATOM 31 H SBP 0 2.5210 -6.6177 0.0078 0.00 0.00 0 ATOM 32 H SBP 0 1.4346 -5.9244 -1.1712 0.00 0.00 0 ATOM 33 C SBP 0 0.0432 -4.2907 0.3393 0.00 0.00 0 ATOM 34 O SBP 0 -1.1417 -4.4817 0.4709 0.00 0.00 0 ATOM 35 N SBP 0 0.5124 -3.2209 -0.3337 0.00 0.00 0 ATOM 36 C SBP 0 1.9105 -2.8445 -0.5419 0.00 0.00 0 ATOM 37 C SBP 0 1.8157 -1.6719 -1.5186 0.00 0.00 0 ATOM 38 C SBP 0 0.4516 -1.0342 -1.2281 0.00 0.00 0 ATOM 39 C SBP 0 -0.4267 -2.2517 -0.8817 0.00 0.00 0 ATOM 40 H SBP 0 2.3694 -2.5308 0.3855 0.00 0.00 0 ATOM 41 H SBP 0 2.4824 -3.6642 -0.9586 0.00 0.00 0 ATOM 42 H SBP 0 2.6376 -0.9805 -1.4005 0.00 0.00 0 ATOM 43 H SBP 0 1.8190 -2.0406 -2.5393 0.00 0.00 0 ATOM 44 H SBP 0 0.0650 -0.5226 -2.0998 0.00 0.00 0 ATOM 45 H SBP 0 -1.2027 -2.0373 -0.1611 0.00 0.00 0 ATOM 46 H SBP 0 -0.9064 -2.6468 -1.7711 0.00 0.00 0 ATOM 47 C SBP 0 0.5242 -0.0633 -0.0546 0.00 0.00 0 ATOM 48 O SBP 0 1.4243 -0.1157 0.7483 0.00 0.00 0 ATOM 49 N SBP 0 -0.4698 0.8399 0.0612 0.00 0.00 0 ATOM 50 C SBP 0 -1.5974 1.0426 -0.8484 0.00 0.00 0 ATOM 51 C SBP 0 -2.4667 2.0596 -0.1078 0.00 0.00 0 ATOM 52 C SBP 0 -1.4803 2.8622 0.7494 0.00 0.00 0 ATOM 53 C SBP 0 -0.4404 1.8005 1.1557 0.00 0.00 0 ATOM 54 H SBP 0 -2.1319 0.1180 -1.0274 0.00 0.00 0 ATOM 55 H SBP 0 -1.2640 1.4453 -1.7949 0.00 0.00 0 ATOM 56 H SBP 0 -3.1604 1.5438 0.5484 0.00 0.00 0 ATOM 57 H SBP 0 -3.0335 2.6782 -0.7886 0.00 0.00 0 ATOM 58 H SBP 0 -1.9662 3.2729 1.6246 0.00 0.00 0 ATOM 59 H SBP 0 -0.7209 1.3236 2.0890 0.00 0.00 0 ATOM 60 H SBP 0 0.5583 2.1940 1.2782 0.00 0.00 0 ATOM 61 C SBP 0 -0.8278 3.9854 -0.0489 0.00 0.00 0 ATOM 62 O SBP 0 -0.8052 3.9669 -1.2558 0.00 0.00 0 ATOM 63 N SBP 0 -0.2571 4.9878 0.6493 0.00 0.00 0 ATOM 64 C SBP 0 -0.2381 5.1617 2.1016 0.00 0.00 0 ATOM 65 C SBP 0 0.6940 6.3577 2.2992 0.00 0.00 0 ATOM 66 C SBP 0 0.5509 7.1787 1.0115 0.00 0.00 0 ATOM 67 C SBP 0 0.3664 6.0925 -0.0657 0.00 0.00 0 ATOM 68 H SBP 0 -1.2270 5.3839 2.4781 0.00 0.00 0 ATOM 69 H SBP 0 0.1387 4.2776 2.6006 0.00 0.00 0 ATOM 70 H SBP 0 0.4459 6.9205 3.1876 0.00 0.00 0 ATOM 71 H SBP 0 1.7206 6.0159 2.3831 0.00 0.00 0 ATOM 72 H SBP 0 1.4429 7.7597 0.8164 0.00 0.00 0 ATOM 73 H SBP 0 -0.2586 6.4001 -0.8918 0.00 0.00 0 ATOM 74 H SBP 0 1.3243 5.7897 -0.4756 0.00 0.00 0 ATOM 75 C SBP 0 -0.6616 8.1012 1.0660 0.00 0.00 0 ATOM 76 O SBP 0 -1.5722 7.8969 1.8304 0.00 0.00 0 ATOM 77 N SBP 0 -0.6835 9.1449 0.2104 0.00 0.00 0 ATOM 78 C SBP 0 0.3419 9.5183 -0.7642 0.00 0.00 0 ATOM 79 C SBP 0 -0.3339 10.6226 -1.5805 0.00 0.00 0 ATOM 80 C SBP 0 -1.3224 11.2594 -0.6011 0.00 0.00 0 ATOM 81 C SBP 0 -1.8227 10.0557 0.2137 0.00 0.00 0 ATOM 82 H SBP 0 0.6253 8.6795 -1.3869 0.00 0.00 0 ATOM 83 H SBP 0 1.2283 9.8964 -0.2700 0.00 0.00 0 ATOM 84 H SBP 0 -0.8880 10.1870 -2.4052 0.00 0.00 0 ATOM 85 H SBP 0 0.3811 11.3269 -1.9814 0.00 0.00 0 ATOM 86 H SBP 0 -2.1483 11.7531 -1.0981 0.00 0.00 0 ATOM 87 H SBP 0 -2.6799 9.5988 -0.2686 0.00 0.00 0 ATOM 88 H SBP 0 -2.1101 10.3056 1.2235 0.00 0.00 0 ATOM 89 C SBP 0 -0.6573 12.2834 0.2972 0.00 0.00 0 ATOM 90 O SBP 0 0.5136 12.4834 0.3618 0.00 0.00 0 ATOM 91 O SBP 0 -1.5495 12.9383 1.0209 0.00 0.00 0 ATOM 92 C SBP 0 -1.0596 13.9099 1.9310 0.00 0.00 0 ATOM 93 H SBP 0 -1.9297 14.3216 2.4172 0.00 0.00 0 ATOM 94 H SBP 0 -0.5218 14.6837 1.4031 0.00 0.00 0 ATOM 95 H SBP 0 -0.4052 13.4505 2.6573 0.00 0.00 0 END REMARK (S)trans-Ax(-155) ATOM 1 N SBP 0 0.8422-10.8612 0.3813 0.00 0.00 0 ATOM 2 C SBP 0 0.1988 -9.8784 1.2387 0.00 0.00 0 ATOM 3 C SBP 0 1.0078 -8.6113 0.9688 0.00 0.00 0 ATOM 4 C SBP 0 1.3964 -8.7417 -0.5225 0.00 0.00 0 ATOM 5 C SBP 0 1.5964-10.2520 -0.7074 0.00 0.00 0 ATOM 6 H SBP 0 -0.8418 -9.7379 0.9676 0.00 0.00 0 ATOM 7 H SBP 0 0.2471-10.1687 2.2808 0.00 0.00 0 ATOM 8 H SBP 0 0.4511 -7.7090 1.1908 0.00 0.00 0 ATOM 9 H SBP 0 1.9085 -8.6144 1.5738 0.00 0.00 0 ATOM 10 H SBP 0 2.3117 -8.2067 -0.7325 0.00 0.00 0 ATOM 11 H SBP 0 1.2341-10.6039 -1.6610 0.00 0.00 0 ATOM 12 H SBP 0 2.6450-10.5154 -0.6256 0.00 0.00 0 ATOM 13 C SBP 0 0.6402-12.1964 0.3901 0.00 0.00 0 ATOM 14 O SBP 0 1.1673-12.9225 -0.4132 0.00 0.00 0 ATOM 15 C SBP 0 -0.2658-12.7462 1.4732 0.00 0.00 0 ATOM 16 H SBP 0 -0.3712-13.8095 1.3163 0.00 0.00 0 ATOM 17 H SBP 0 -1.2438-12.2779 1.4446 0.00 0.00 0 ATOM 18 H SBP 0 0.1579-12.5723 2.4573 0.00 0.00 0 ATOM 19 C SBP 0 0.2516 -8.2024 -1.3690 0.00 0.00 0 ATOM 20 O SBP 0 -0.6780 -8.9076 -1.6742 0.00 0.00 0 ATOM 21 N SBP 0 0.2879 -6.8956 -1.7086 0.00 0.00 0 ATOM 22 C SBP 0 1.3119 -5.9242 -1.3415 0.00 0.00 0 ATOM 23 C SBP 0 0.8176 -4.6286 -1.9864 0.00 0.00 0 ATOM 24 C SBP 0 -0.7194 -4.7725 -1.9593 0.00 0.00 0 ATOM 25 C SBP 0 -0.9214 -6.2657 -2.2278 0.00 0.00 0 ATOM 26 H SBP 0 2.2841 -6.2069 -1.7264 0.00 0.00 0 ATOM 27 H SBP 0 1.3856 -5.8139 -0.2664 0.00 0.00 0 ATOM 28 H SBP 0 1.1507 -4.5764 -3.0177 0.00 0.00 0 ATOM 29 H SBP 0 1.1800 -3.7497 -1.4674 0.00 0.00 0 ATOM 30 H SBP 0 -1.1828 -4.1751 -2.7318 0.00 0.00 0 ATOM 31 H SBP 0 -1.0194 -6.4510 -3.2926 0.00 0.00 0 ATOM 32 H SBP 0 -1.7905 -6.6701 -1.7341 0.00 0.00 0 ATOM 33 C SBP 0 -1.2242 -4.3662 -0.5811 0.00 0.00 0 ATOM 34 O SBP 0 -1.2452 -5.1593 0.3290 0.00 0.00 0 ATOM 35 N SBP 0 -1.5877 -3.0791 -0.4035 0.00 0.00 0 ATOM 36 C SBP 0 -1.5342 -2.0114 -1.3965 0.00 0.00 0 ATOM 37 C SBP 0 -2.0270 -0.7856 -0.6261 0.00 0.00 0 ATOM 38 C SBP 0 -1.5730 -1.0604 0.8238 0.00 0.00 0 ATOM 39 C SBP 0 -1.7660 -2.5729 0.9535 0.00 0.00 0 ATOM 40 H SBP 0 -0.5243 -1.8577 -1.7567 0.00 0.00 0 ATOM 41 H SBP 0 -2.1738 -2.2249 -2.2441 0.00 0.00 0 ATOM 42 H SBP 0 -1.6360 0.1376 -1.0356 0.00 0.00 0 ATOM 43 H SBP 0 -3.1106 -0.7389 -0.6554 0.00 0.00 0 ATOM 44 H SBP 0 -2.1896 -0.5296 1.5354 0.00 0.00 0 ATOM 45 H SBP 0 -1.0527 -3.0351 1.6169 0.00 0.00 0 ATOM 46 H SBP 0 -2.7635 -2.7994 1.3159 0.00 0.00 0 ATOM 47 C SBP 0 -0.1106 -0.6587 0.9638 0.00 0.00 0 ATOM 48 O SBP 0 0.7731 -1.4247 0.6637 0.00 0.00 0 ATOM 49 N SBP 0 0.1555 0.5978 1.3771 0.00 0.00 0 ATOM 50 C SBP 0 -0.8181 1.6375 1.6927 0.00 0.00 0 ATOM 51 C SBP 0 0.0537 2.8405 2.0567 0.00 0.00 0 ATOM 52 C SBP 0 1.3224 2.6440 1.1992 0.00 0.00 0 ATOM 53 C SBP 0 1.5070 1.1250 1.2197 0.00 0.00 0 ATOM 54 H SBP 0 -1.4531 1.3489 2.5213 0.00 0.00 0 ATOM 55 H SBP 0 -1.4457 1.8627 0.8392 0.00 0.00 0 ATOM 56 H SBP 0 0.3254 2.7990 3.1062 0.00 0.00 0 ATOM 57 H SBP 0 -0.4524 3.7806 1.8738 0.00 0.00 0 ATOM 58 H SBP 0 2.1747 3.1426 1.6389 0.00 0.00 0 ATOM 59 H SBP 0 2.1308 0.8291 2.0569 0.00 0.00 0 ATOM 60 H SBP 0 1.9508 0.7403 0.3156 0.00 0.00 0 ATOM 61 C SBP 0 1.0507 3.1648 -0.2058 0.00 0.00 0 ATOM 62 O SBP 0 0.5147 2.4669 -1.0319 0.00 0.00 0 ATOM 63 N SBP 0 1.3763 4.4473 -0.4723 0.00 0.00 0 ATOM 64 C SBP 0 1.9559 5.4130 0.4538 0.00 0.00 0 ATOM 65 C SBP 0 2.0801 6.6809 -0.3928 0.00 0.00 0 ATOM 66 C SBP 0 0.9042 6.5742 -1.3865 0.00 0.00 0 ATOM 67 C SBP 0 0.8589 5.0732 -1.6847 0.00 0.00 0 ATOM 68 H SBP 0 1.3081 5.5795 1.3063 0.00 0.00 0 ATOM 69 H SBP 0 2.9235 5.0874 0.8153 0.00 0.00 0 ATOM 70 H SBP 0 2.0630 7.5818 0.2089 0.00 0.00 0 ATOM 71 H SBP 0 3.0124 6.6671 -0.9468 0.00 0.00 0 ATOM 72 H SBP 0 1.1001 7.1402 -2.2861 0.00 0.00 0 ATOM 73 H SBP 0 -0.1356 4.7122 -1.8919 0.00 0.00 0 ATOM 74 H SBP 0 1.4903 4.8361 -2.5345 0.00 0.00 0 ATOM 75 C SBP 0 -0.3748 7.0542 -0.7120 0.00 0.00 0 ATOM 76 O SBP 0 -1.0278 6.3114 -0.0196 0.00 0.00 0 ATOM 77 N SBP 0 -0.7142 8.3510 -0.8708 0.00 0.00 0 ATOM 78 C SBP 0 -0.0166 9.3576 -1.6729 0.00 0.00 0 ATOM 79 C SBP 0 -0.8416 10.6315 -1.4528 0.00 0.00 0 ATOM 80 C SBP 0 -1.5408 10.4106 -0.1090 0.00 0.00 0 ATOM 81 C SBP 0 -1.8426 8.9042 -0.1335 0.00 0.00 0 ATOM 82 H SBP 0 0.0086 9.0818 -2.7203 0.00 0.00 0 ATOM 83 H SBP 0 0.9989 9.4930 -1.3262 0.00 0.00 0 ATOM 84 H SBP 0 -1.5954 10.7255 -2.2270 0.00 0.00 0 ATOM 85 H SBP 0 -0.2248 11.5191 -1.4706 0.00 0.00 0 ATOM 86 H SBP 0 -2.4512 10.9867 -0.0059 0.00 0.00 0 ATOM 87 H SBP 0 -2.7768 8.7147 -0.6519 0.00 0.00 0 ATOM 88 H SBP 0 -1.9122 8.4558 0.8452 0.00 0.00 0 ATOM 89 C SBP 0 -0.6413 10.7404 1.0640 0.00 0.00 0 ATOM 90 O SBP 0 0.5397 10.8762 1.0038 0.00 0.00 0 ATOM 91 O SBP 0 -1.3303 10.8374 2.1876 0.00 0.00 0 ATOM 92 C SBP 0 -0.6017 11.1032 3.3757 0.00 0.00 0 ATOM 93 H SBP 0 -1.3344 11.1466 4.1656 0.00 0.00 0 ATOM 94 H SBP 0 -0.0791 12.0450 3.2946 0.00 0.00 0 ATOM 95 H SBP 0 0.1103 10.3135 3.5664 0.00 0.00 0 END REMARK (S)trans-Eq(-94) ATOM 1 N SBP 0 -0.2351-12.2238 0.0397 0.00 0.00 0 ATOM 2 C SBP 0 1.1865-12.5335 0.1386 0.00 0.00 0 ATOM 3 C SBP 0 1.8285-11.1648 0.3696 0.00 0.00 0 ATOM 4 C SBP 0 0.8863-10.2039 -0.3602 0.00 0.00 0 ATOM 5 C SBP 0 -0.4996-10.7957 -0.0534 0.00 0.00 0 ATOM 6 H SBP 0 1.3920-13.2172 0.9530 0.00 0.00 0 ATOM 7 H SBP 0 1.5503-12.9902 -0.7786 0.00 0.00 0 ATOM 8 H SBP 0 1.8383-10.9196 1.4226 0.00 0.00 0 ATOM 9 H SBP 0 2.8468-11.1196 0.0024 0.00 0.00 0 ATOM 10 H SBP 0 1.0643-10.2727 -1.4266 0.00 0.00 0 ATOM 11 H SBP 0 -0.8864-10.4144 0.8859 0.00 0.00 0 ATOM 12 H SBP 0 -1.2328-10.5977 -0.8218 0.00 0.00 0 ATOM 13 C SBP 0 -1.2608-13.1061 0.0296 0.00 0.00 0 ATOM 14 O SBP 0 -2.4053-12.7420 -0.0459 0.00 0.00 0 ATOM 15 C SBP 0 -0.9012-14.5743 0.1229 0.00 0.00 0 ATOM 16 H SBP 0 -0.4777-14.8016 1.0960 0.00 0.00 0 ATOM 17 H SBP 0 -1.8036-15.1517 -0.0117 0.00 0.00 0 ATOM 18 H SBP 0 -0.1737-14.8577 -0.6299 0.00 0.00 0 ATOM 19 C SBP 0 1.0054 -8.7641 0.1181 0.00 0.00 0 ATOM 20 O SBP 0 1.3413 -8.5167 1.2489 0.00 0.00 0 ATOM 21 N SBP 0 0.6784 -7.7827 -0.7500 0.00 0.00 0 ATOM 22 C SBP 0 0.2591 -7.9222 -2.1436 0.00 0.00 0 ATOM 23 C SBP 0 0.1751 -6.4759 -2.6369 0.00 0.00 0 ATOM 24 C SBP 0 -0.1603 -5.6821 -1.3722 0.00 0.00 0 ATOM 25 C SBP 0 0.6798 -6.3953 -0.3020 0.00 0.00 0 ATOM 26 H SBP 0 -0.7034 -8.4201 -2.2117 0.00 0.00 0 ATOM 27 H SBP 0 0.9735 -8.4943 -2.7220 0.00 0.00 0 ATOM 28 H SBP 0 -0.5616 -6.3541 -3.4218 0.00 0.00 0 ATOM 29 H SBP 0 1.1318 -6.1457 -3.0173 0.00 0.00 0 ATOM 30 H SBP 0 -1.2085 -5.8147 -1.1346 0.00 0.00 0 ATOM 31 H SBP 0 0.2650 -6.3237 0.6924 0.00 0.00 0 ATOM 32 H SBP 0 1.6901 -6.0010 -0.2761 0.00 0.00 0 ATOM 33 C SBP 0 0.1979 -4.2065 -1.4762 0.00 0.00 0 ATOM 34 O SBP 0 1.1446 -3.8514 -2.1328 0.00 0.00 0 ATOM 35 N SBP 0 -0.5455 -3.3245 -0.7757 0.00 0.00 0 ATOM 36 C SBP 0 -1.7136 -3.6013 0.0596 0.00 0.00 0 ATOM 37 C SBP 0 -2.1975 -2.2081 0.4685 0.00 0.00 0 ATOM 38 C SBP 0 -0.9210 -1.3637 0.4562 0.00 0.00 0 ATOM 39 C SBP 0 -0.1724 -1.9149 -0.7665 0.00 0.00 0 ATOM 40 H SBP 0 -2.4785 -4.1387 -0.4862 0.00 0.00 0 ATOM 41 H SBP 0 -1.4388 -4.1955 0.9260 0.00 0.00 0 ATOM 42 H SBP 0 -2.8882 -1.8137 -0.2638 0.00 0.00 0 ATOM 43 H SBP 0 -2.6926 -2.2145 1.4321 0.00 0.00 0 ATOM 44 H SBP 0 -0.3406 -1.5805 1.3443 0.00 0.00 0 ATOM 45 H SBP 0 -0.5024 -1.4244 -1.6759 0.00 0.00 0 ATOM 46 H SBP 0 0.9005 -1.8134 -0.6988 0.00 0.00 0 ATOM 47 C SBP 0 -1.1898 0.1286 0.3233 0.00 0.00 0 ATOM 48 O SBP 0 -2.1261 0.5252 -0.3243 0.00 0.00 0 ATOM 49 N SBP 0 -0.3248 0.9825 0.9095 0.00 0.00 0 ATOM 50 C SBP 0 0.8496 0.6550 1.7172 0.00 0.00 0 ATOM 51 C SBP 0 1.3376 2.0204 2.2070 0.00 0.00 0 ATOM 52 C SBP 0 0.8851 2.9826 1.1062 0.00 0.00 0 ATOM 53 C SBP 0 -0.4903 2.4186 0.7195 0.00 0.00 0 ATOM 54 H SBP 0 1.6051 0.1555 1.1181 0.00 0.00 0 ATOM 55 H SBP 0 0.5975 0.0069 2.5469 0.00 0.00 0 ATOM 56 H SBP 0 2.4084 2.0366 2.3706 0.00 0.00 0 ATOM 57 H SBP 0 0.8503 2.2903 3.1336 0.00 0.00 0 ATOM 58 H SBP 0 1.5490 2.8904 0.2555 0.00 0.00 0 ATOM 59 H SBP 0 -0.7735 2.6295 -0.3009 0.00 0.00 0 ATOM 60 H SBP 0 -1.2650 2.8055 1.3728 0.00 0.00 0 ATOM 61 C SBP 0 0.7877 4.4276 1.5745 0.00 0.00 0 ATOM 62 O SBP 0 0.4752 4.6825 2.7103 0.00 0.00 0 ATOM 63 N SBP 0 1.0141 5.4025 0.6688 0.00 0.00 0 ATOM 64 C SBP 0 1.3918 5.2496 -0.7357 0.00 0.00 0 ATOM 65 C SBP 0 1.6246 6.6889 -1.2014 0.00 0.00 0 ATOM 66 C SBP 0 0.7016 7.5141 -0.3022 0.00 0.00 0 ATOM 67 C SBP 0 0.8311 6.7976 1.0506 0.00 0.00 0 ATOM 68 H SBP 0 2.2867 4.6507 -0.8474 0.00 0.00 0 ATOM 69 H SBP 0 0.5964 4.7738 -1.3015 0.00 0.00 0 ATOM 70 H SBP 0 2.6486 6.9871 -1.0243 0.00 0.00 0 ATOM 71 H SBP 0 1.4138 6.8160 -2.2563 0.00 0.00 0 ATOM 72 H SBP 0 -0.3194 7.4137 -0.6500 0.00 0.00 0 ATOM 73 H SBP 0 1.6923 7.1615 1.6010 0.00 0.00 0 ATOM 74 H SBP 0 -0.0390 6.9004 1.6814 0.00 0.00 0 ATOM 75 C SBP 0 1.1070 8.9781 -0.2072 0.00 0.00 0 ATOM 76 O SBP 0 2.2622 9.3029 -0.3119 0.00 0.00 0 ATOM 77 N SBP 0 0.1402 9.8883 0.0412 0.00 0.00 0 ATOM 78 C SBP 0 -1.2932 9.6524 0.1931 0.00 0.00 0 ATOM 79 C SBP 0 -1.8769 11.0643 0.2678 0.00 0.00 0 ATOM 80 C SBP 0 -0.7436 11.8776 0.9099 0.00 0.00 0 ATOM 81 C SBP 0 0.5079 11.2861 0.2499 0.00 0.00 0 ATOM 82 H SBP 0 -1.5050 9.0934 1.0996 0.00 0.00 0 ATOM 83 H SBP 0 -1.7019 9.1023 -0.6444 0.00 0.00 0 ATOM 84 H SBP 0 -2.7979 11.0987 0.8364 0.00 0.00 0 ATOM 85 H SBP 0 -2.0764 11.4363 -0.7299 0.00 0.00 0 ATOM 86 H SBP 0 -0.7168 11.6868 1.9753 0.00 0.00 0 ATOM 87 H SBP 0 1.3848 11.3543 0.8762 0.00 0.00 0 ATOM 88 H SBP 0 0.7283 11.7681 -0.6945 0.00 0.00 0 ATOM 89 C SBP 0 -0.8914 13.3735 0.7552 0.00 0.00 0 ATOM 90 O SBP 0 -0.9929 14.1303 1.6653 0.00 0.00 0 ATOM 91 O SBP 0 -0.9076 13.7540 -0.5138 0.00 0.00 0 ATOM 92 C SBP 0 -1.0451 15.1425 -0.7689 0.00 0.00 0 ATOM 93 H SBP 0 -0.2259 15.6900 -0.3266 0.00 0.00 0 ATOM 94 H SBP 0 -1.9783 15.5092 -0.3672 0.00 0.00 0 ATOM 95 H SBP 0 -1.0307 15.2469 -1.8423 0.00 0.00 0 END PDB files for the six equivalent (R) beta-proline minima REMARK (R)cis-Eq(-150) ATOM 1 N RBP 0 -0.1520-12.2014 -0.1159 0.00 0.00 0 ATOM 2 C RBP 0 0.0641-11.4293 -1.3327 0.00 0.00 0 ATOM 3 C RBP 0 -0.6975-10.1318 -1.0664 0.00 0.00 0 ATOM 4 C RBP 0 -0.6120 -9.9808 0.4636 0.00 0.00 0 ATOM 5 C RBP 0 -0.7790-11.4244 0.9471 0.00 0.00 0 ATOM 6 H RBP 0 -0.3042-11.9659 -2.1956 0.00 0.00 0 ATOM 7 H RBP 0 1.1239-11.2507 -1.4855 0.00 0.00 0 ATOM 8 H RBP 0 -1.7378-10.2381 -1.3553 0.00 0.00 0 ATOM 9 H RBP 0 -0.2818 -9.2888 -1.6054 0.00 0.00 0 ATOM 10 H RBP 0 0.3808 -9.6376 0.7296 0.00 0.00 0 ATOM 11 H RBP 0 -1.8289-11.6618 1.0566 0.00 0.00 0 ATOM 12 H RBP 0 -0.2887-11.5845 1.8994 0.00 0.00 0 ATOM 13 C RBP 0 0.1767-13.5120 -0.0735 0.00 0.00 0 ATOM 14 O RBP 0 0.6883-14.0647 -1.0126 0.00 0.00 0 ATOM 15 C RBP 0 -0.1199-14.2518 1.2146 0.00 0.00 0 ATOM 16 H RBP 0 0.5075-13.8828 2.0200 0.00 0.00 0 ATOM 17 H RBP 0 -1.1540-14.1298 1.5174 0.00 0.00 0 ATOM 18 H RBP 0 0.0900-15.2993 1.0574 0.00 0.00 0 ATOM 19 C RBP 0 -1.6747 -9.0456 1.0202 0.00 0.00 0 ATOM 20 O RBP 0 -2.7863 -9.4470 1.2618 0.00 0.00 0 ATOM 21 N RBP 0 -1.3396 -7.7529 1.2036 0.00 0.00 0 ATOM 22 C RBP 0 -2.3235 -6.8197 1.7431 0.00 0.00 0 ATOM 23 C RBP 0 -1.4950 -5.5767 2.0591 0.00 0.00 0 ATOM 24 C RBP 0 -0.3732 -5.6259 1.0065 0.00 0.00 0 ATOM 25 C RBP 0 -0.0492 -7.1211 0.9365 0.00 0.00 0 ATOM 26 H RBP 0 -2.8072 -7.2393 2.6134 0.00 0.00 0 ATOM 27 H RBP 0 -3.0934 -6.6152 1.0061 0.00 0.00 0 ATOM 28 H RBP 0 -1.0582 -5.6548 3.0490 0.00 0.00 0 ATOM 29 H RBP 0 -2.0821 -4.6670 2.0194 0.00 0.00 0 ATOM 30 H RBP 0 -0.7722 -5.3103 0.0498 0.00 0.00 0 ATOM 31 H RBP 0 0.3359 -7.3965 -0.0366 0.00 0.00 0 ATOM 32 H RBP 0 0.6865 -7.3772 1.6865 0.00 0.00 0 ATOM 33 C RBP 0 0.8328 -4.7834 1.3956 0.00 0.00 0 ATOM 34 O RBP 0 1.6839 -5.2271 2.1263 0.00 0.00 0 ATOM 35 N RBP 0 0.8979 -3.5241 0.9218 0.00 0.00 0 ATOM 36 C RBP 0 2.0410 -2.6813 1.2592 0.00 0.00 0 ATOM 37 C RBP 0 1.8884 -1.4875 0.3197 0.00 0.00 0 ATOM 38 C RBP 0 0.3643 -1.3813 0.1324 0.00 0.00 0 ATOM 39 C RBP 0 -0.0636 -2.8496 0.0518 0.00 0.00 0 ATOM 40 H RBP 0 2.9658 -3.2205 1.1132 0.00 0.00 0 ATOM 41 H RBP 0 1.9953 -2.3832 2.3017 0.00 0.00 0 ATOM 42 H RBP 0 2.3514 -1.6986 -0.6383 0.00 0.00 0 ATOM 43 H RBP 0 2.3360 -0.5861 0.7204 0.00 0.00 0 ATOM 44 H RBP 0 -0.0710 -0.9389 1.0205 0.00 0.00 0 ATOM 45 H RBP 0 0.0036 -3.2002 -0.9689 0.00 0.00 0 ATOM 46 H RBP 0 -1.0795 -2.9843 0.3999 0.00 0.00 0 ATOM 47 C RBP 0 -0.0203 -0.5920 -1.1107 0.00 0.00 0 ATOM 48 O RBP 0 -0.0656 -1.1281 -2.1903 0.00 0.00 0 ATOM 49 N RBP 0 -0.2762 0.7223 -0.9653 0.00 0.00 0 ATOM 50 C RBP 0 -0.6597 1.5185 -2.1273 0.00 0.00 0 ATOM 51 C RBP 0 -1.1372 2.8319 -1.5125 0.00 0.00 0 ATOM 52 C RBP 0 -0.2875 2.9507 -0.2346 0.00 0.00 0 ATOM 53 C RBP 0 -0.2407 1.5049 0.2686 0.00 0.00 0 ATOM 54 H RBP 0 -1.4262 1.0132 -2.6968 0.00 0.00 0 ATOM 55 H RBP 0 0.1933 1.6654 -2.7819 0.00 0.00 0 ATOM 56 H RBP 0 -2.1846 2.7627 -1.2391 0.00 0.00 0 ATOM 57 H RBP 0 -1.0185 3.6713 -2.1870 0.00 0.00 0 ATOM 58 H RBP 0 0.7155 3.2593 -0.5043 0.00 0.00 0 ATOM 59 H RBP 0 0.6606 1.3136 0.8365 0.00 0.00 0 ATOM 60 H RBP 0 -1.0971 1.3029 0.8970 0.00 0.00 0 ATOM 61 C RBP 0 -0.8926 3.9042 0.7855 0.00 0.00 0 ATOM 62 O RBP 0 -1.7415 3.5253 1.5540 0.00 0.00 0 ATOM 63 N RBP 0 -0.4696 5.1831 0.7773 0.00 0.00 0 ATOM 64 C RBP 0 -1.0128 6.1321 1.7447 0.00 0.00 0 ATOM 65 C RBP 0 -0.0890 7.3401 1.6100 0.00 0.00 0 ATOM 66 C RBP 0 0.3471 7.2854 0.1347 0.00 0.00 0 ATOM 67 C RBP 0 0.5316 5.7834 -0.1017 0.00 0.00 0 ATOM 68 H RBP 0 -1.0103 5.7050 2.7371 0.00 0.00 0 ATOM 69 H RBP 0 -2.0397 6.3789 1.4954 0.00 0.00 0 ATOM 70 H RBP 0 0.7830 7.2219 2.2442 0.00 0.00 0 ATOM 71 H RBP 0 -0.5799 8.2676 1.8791 0.00 0.00 0 ATOM 72 H RBP 0 -0.4662 7.6399 -0.4874 0.00 0.00 0 ATOM 73 H RBP 0 1.5350 5.4857 0.1701 0.00 0.00 0 ATOM 74 H RBP 0 0.3602 5.5229 -1.1382 0.00 0.00 0 ATOM 75 C RBP 0 1.6188 8.0781 -0.1302 0.00 0.00 0 ATOM 76 O RBP 0 2.7024 7.5861 0.0626 0.00 0.00 0 ATOM 77 N RBP 0 1.4895 9.3504 -0.5570 0.00 0.00 0 ATOM 78 C RBP 0 2.6836 10.1501 -0.8225 0.00 0.00 0 ATOM 79 C RBP 0 2.1358 11.3786 -1.5449 0.00 0.00 0 ATOM 80 C RBP 0 0.7285 11.5271 -0.9436 0.00 0.00 0 ATOM 81 C RBP 0 0.2499 10.0820 -0.8033 0.00 0.00 0 ATOM 82 H RBP 0 3.3905 9.5883 -1.4153 0.00 0.00 0 ATOM 83 H RBP 0 3.1730 10.4165 0.1085 0.00 0.00 0 ATOM 84 H RBP 0 2.0634 11.1847 -2.6110 0.00 0.00 0 ATOM 85 H RBP 0 2.7466 12.2595 -1.4033 0.00 0.00 0 ATOM 86 H RBP 0 0.8191 11.9837 0.0372 0.00 0.00 0 ATOM 87 H RBP 0 -0.4528 9.9719 0.0117 0.00 0.00 0 ATOM 88 H RBP 0 -0.2356 9.7552 -1.7147 0.00 0.00 0 ATOM 89 C RBP 0 -0.1973 12.3926 -1.7623 0.00 0.00 0 ATOM 90 O RBP 0 -1.1772 12.0112 -2.3176 0.00 0.00 0 ATOM 91 O RBP 0 0.2213 13.6459 -1.7916 0.00 0.00 0 ATOM 92 C RBP 0 -0.5538 14.5708 -2.5390 0.00 0.00 0 ATOM 93 H RBP 0 -0.5978 14.2744 -3.5766 0.00 0.00 0 ATOM 94 H RBP 0 -0.0527 15.5204 -2.4401 0.00 0.00 0 ATOM 95 H RBP 0 -1.5560 14.6306 -2.1406 0.00 0.00 0 END REMARK (R)cis-Ax(-85) ATOM 1 N RBP 0 0.3335 -5.6158 -1.0268 0.00 0.00 0 ATOM 2 C RBP 0 -0.8006 -6.4068 -1.4936 0.00 0.00 0 ATOM 3 C RBP 0 -1.8686 -5.3555 -1.7941 0.00 0.00 0 ATOM 4 C RBP 0 -1.5353 -4.1778 -0.8691 0.00 0.00 0 ATOM 5 C RBP 0 0.0067 -4.2178 -0.7981 0.00 0.00 0 ATOM 6 H RBP 0 -1.1228 -7.0912 -0.7213 0.00 0.00 0 ATOM 7 H RBP 0 -0.5224 -6.9835 -2.3652 0.00 0.00 0 ATOM 8 H RBP 0 -2.8690 -5.7335 -1.6382 0.00 0.00 0 ATOM 9 H RBP 0 -1.7842 -5.0217 -2.8240 0.00 0.00 0 ATOM 10 H RBP 0 -1.8660 -3.2386 -1.2947 0.00 0.00 0 ATOM 11 H RBP 0 0.3873 -3.8728 0.1541 0.00 0.00 0 ATOM 12 H RBP 0 0.4325 -3.5825 -1.5683 0.00 0.00 0 ATOM 13 C RBP 0 1.5412 -6.1913 -0.8342 0.00 0.00 0 ATOM 14 O RBP 0 1.7283 -7.3594 -1.0616 0.00 0.00 0 ATOM 15 C RBP 0 2.6489 -5.3045 -0.3025 0.00 0.00 0 ATOM 16 H RBP 0 3.5786 -5.8496 -0.3762 0.00 0.00 0 ATOM 17 H RBP 0 2.4635 -5.0683 0.7412 0.00 0.00 0 ATOM 18 H RBP 0 2.7288 -4.3669 -0.8400 0.00 0.00 0 ATOM 19 C RBP 0 -2.1403 -4.3533 0.5209 0.00 0.00 0 ATOM 20 O RBP 0 -2.5443 -5.4213 0.9046 0.00 0.00 0 ATOM 21 N RBP 0 -2.1760 -3.2640 1.3212 0.00 0.00 0 ATOM 22 C RBP 0 -2.6401 -3.3885 2.7017 0.00 0.00 0 ATOM 23 C RBP 0 -2.5660 -1.9579 3.2454 0.00 0.00 0 ATOM 24 C RBP 0 -1.5617 -1.2362 2.3377 0.00 0.00 0 ATOM 25 C RBP 0 -1.8148 -1.9007 0.9710 0.00 0.00 0 ATOM 26 H RBP 0 -1.9903 -4.0583 3.2447 0.00 0.00 0 ATOM 27 H RBP 0 -3.6441 -3.7917 2.7309 0.00 0.00 0 ATOM 28 H RBP 0 -2.2742 -1.9356 4.2858 0.00 0.00 0 ATOM 29 H RBP 0 -3.5304 -1.4681 3.1517 0.00 0.00 0 ATOM 30 H RBP 0 -1.7612 -0.1731 2.2884 0.00 0.00 0 ATOM 31 H RBP 0 -0.9514 -1.8657 0.3239 0.00 0.00 0 ATOM 32 H RBP 0 -2.6279 -1.3964 0.4566 0.00 0.00 0 ATOM 33 C RBP 0 -0.1205 -1.4835 2.7732 0.00 0.00 0 ATOM 34 O RBP 0 0.1669 -2.3855 3.5175 0.00 0.00 0 ATOM 35 N RBP 0 0.8356 -0.6791 2.2539 0.00 0.00 0 ATOM 36 C RBP 0 2.2433 -0.9551 2.5345 0.00 0.00 0 ATOM 37 C RBP 0 2.9921 0.1625 1.8021 0.00 0.00 0 ATOM 38 C RBP 0 2.0155 0.6668 0.7311 0.00 0.00 0 ATOM 39 C RBP 0 0.6461 0.4927 1.4173 0.00 0.00 0 ATOM 40 H RBP 0 2.5060 -1.9303 2.1527 0.00 0.00 0 ATOM 41 H RBP 0 2.4284 -0.9482 3.6007 0.00 0.00 0 ATOM 42 H RBP 0 3.9252 -0.1843 1.3813 0.00 0.00 0 ATOM 43 H RBP 0 3.2099 0.9787 2.4843 0.00 0.00 0 ATOM 44 H RBP 0 2.1950 1.7076 0.4928 0.00 0.00 0 ATOM 45 H RBP 0 -0.1595 0.3592 0.7108 0.00 0.00 0 ATOM 46 H RBP 0 0.4113 1.3707 2.0130 0.00 0.00 0 ATOM 47 C RBP 0 2.0716 -0.1755 -0.5399 0.00 0.00 0 ATOM 48 O RBP 0 2.5152 -1.2966 -0.5273 0.00 0.00 0 ATOM 49 N RBP 0 1.5725 0.3661 -1.6714 0.00 0.00 0 ATOM 50 C RBP 0 1.4907 -0.4442 -2.8866 0.00 0.00 0 ATOM 51 C RBP 0 0.7682 0.4610 -3.8892 0.00 0.00 0 ATOM 52 C RBP 0 0.0274 1.4957 -3.0320 0.00 0.00 0 ATOM 53 C RBP 0 0.9872 1.6862 -1.8421 0.00 0.00 0 ATOM 54 H RBP 0 0.9284 -1.3423 -2.6853 0.00 0.00 0 ATOM 55 H RBP 0 2.4793 -0.7298 -3.2221 0.00 0.00 0 ATOM 56 H RBP 0 0.1033 -0.0991 -4.5313 0.00 0.00 0 ATOM 57 H RBP 0 1.4859 0.9808 -4.5158 0.00 0.00 0 ATOM 58 H RBP 0 -0.1103 2.4257 -3.5677 0.00 0.00 0 ATOM 59 H RBP 0 0.4784 2.0211 -0.9508 0.00 0.00 0 ATOM 60 H RBP 0 1.7418 2.4279 -2.0873 0.00 0.00 0 ATOM 61 C RBP 0 -1.3134 0.9708 -2.5283 0.00 0.00 0 ATOM 62 O RBP 0 -1.5335 -0.2132 -2.4551 0.00 0.00 0 ATOM 63 N RBP 0 -2.2304 1.8763 -2.1267 0.00 0.00 0 ATOM 64 C RBP 0 -3.4887 1.4187 -1.5375 0.00 0.00 0 ATOM 65 C RBP 0 -4.1971 2.7116 -1.1237 0.00 0.00 0 ATOM 66 C RBP 0 -3.0807 3.7581 -1.0041 0.00 0.00 0 ATOM 67 C RBP 0 -2.1003 3.3243 -2.1113 0.00 0.00 0 ATOM 68 H RBP 0 -3.2822 0.7891 -0.6864 0.00 0.00 0 ATOM 69 H RBP 0 -4.0587 0.8441 -2.2558 0.00 0.00 0 ATOM 70 H RBP 0 -4.7547 2.5905 -0.2056 0.00 0.00 0 ATOM 71 H RBP 0 -4.8873 3.0297 -1.8983 0.00 0.00 0 ATOM 72 H RBP 0 -3.4550 4.7559 -1.1916 0.00 0.00 0 ATOM 73 H RBP 0 -1.0870 3.6394 -1.9115 0.00 0.00 0 ATOM 74 H RBP 0 -2.4052 3.7565 -3.0614 0.00 0.00 0 ATOM 75 C RBP 0 -2.3863 3.7050 0.3516 0.00 0.00 0 ATOM 76 O RBP 0 -2.3749 2.6958 1.0131 0.00 0.00 0 ATOM 77 N RBP 0 -1.7605 4.8232 0.7780 0.00 0.00 0 ATOM 78 C RBP 0 -1.0023 4.7885 2.0257 0.00 0.00 0 ATOM 79 C RBP 0 -0.4224 6.1994 2.1349 0.00 0.00 0 ATOM 80 C RBP 0 -0.2954 6.6512 0.6670 0.00 0.00 0 ATOM 81 C RBP 0 -1.5512 6.0588 0.0308 0.00 0.00 0 ATOM 82 H RBP 0 -0.2237 4.0365 1.9653 0.00 0.00 0 ATOM 83 H RBP 0 -1.6418 4.5300 2.8579 0.00 0.00 0 ATOM 84 H RBP 0 0.5149 6.2307 2.6738 0.00 0.00 0 ATOM 85 H RBP 0 -1.1192 6.8573 2.6418 0.00 0.00 0 ATOM 86 H RBP 0 -0.2582 7.7301 0.5833 0.00 0.00 0 ATOM 87 H RBP 0 -1.4165 5.8763 -1.0232 0.00 0.00 0 ATOM 88 H RBP 0 -2.3876 6.7398 0.1592 0.00 0.00 0 ATOM 89 C RBP 0 0.9670 6.0951 0.0363 0.00 0.00 0 ATOM 90 O RBP 0 1.0060 5.1955 -0.7451 0.00 0.00 0 ATOM 91 O RBP 0 2.0386 6.7266 0.4732 0.00 0.00 0 ATOM 92 C RBP 0 3.3002 6.2987 -0.0201 0.00 0.00 0 ATOM 93 H RBP 0 3.3392 6.4041 -1.0941 0.00 0.00 0 ATOM 94 H RBP 0 4.0297 6.9397 0.4477 0.00 0.00 0 ATOM 95 H RBP 0 3.4790 5.2676 0.2477 0.00 0.00 0 END REMARK (R)cis-Ax(-173) ATOM 1 N RBP 0 -0.0500-11.5244 0.0458 0.00 0.00 0 ATOM 2 C RBP 0 -0.3926-10.9964 1.3572 0.00 0.00 0 ATOM 3 C RBP 0 -0.9960 -9.6301 1.0374 0.00 0.00 0 ATOM 4 C RBP 0 -0.2466 -9.1885 -0.2381 0.00 0.00 0 ATOM 5 C RBP 0 -0.0682-10.5071 -0.9979 0.00 0.00 0 ATOM 6 H RBP 0 0.4965-10.9100 1.9724 0.00 0.00 0 ATOM 7 H RBP 0 -1.0842-11.6533 1.8658 0.00 0.00 0 ATOM 8 H RBP 0 -0.8988 -8.9333 1.8603 0.00 0.00 0 ATOM 9 H RBP 0 -2.0524 -9.7316 0.8110 0.00 0.00 0 ATOM 10 H RBP 0 -0.8330 -8.4914 -0.8216 0.00 0.00 0 ATOM 11 H RBP 0 0.8432-10.5077 -1.5742 0.00 0.00 0 ATOM 12 H RBP 0 -0.9078-10.6607 -1.6711 0.00 0.00 0 ATOM 13 C RBP 0 0.4345-12.7808 -0.0684 0.00 0.00 0 ATOM 14 O RBP 0 0.5081-13.5182 0.8807 0.00 0.00 0 ATOM 15 C RBP 0 0.8787-13.2232 -1.4469 0.00 0.00 0 ATOM 16 H RBP 0 0.1357-12.9996 -2.2045 0.00 0.00 0 ATOM 17 H RBP 0 1.7988-12.7168 -1.7213 0.00 0.00 0 ATOM 18 H RBP 0 1.0587-14.2877 -1.4181 0.00 0.00 0 ATOM 19 C RBP 0 1.1012 -8.5563 0.1017 0.00 0.00 0 ATOM 20 O RBP 0 2.1301 -9.1740 -0.0132 0.00 0.00 0 ATOM 21 N RBP 0 1.0965 -7.2914 0.5758 0.00 0.00 0 ATOM 22 C RBP 0 2.3712 -6.6417 0.8577 0.00 0.00 0 ATOM 23 C RBP 0 1.9622 -5.2708 1.3933 0.00 0.00 0 ATOM 24 C RBP 0 0.6313 -4.9803 0.6713 0.00 0.00 0 ATOM 25 C RBP 0 -0.0272 -6.3610 0.6241 0.00 0.00 0 ATOM 26 H RBP 0 2.9566 -6.5615 -0.0515 0.00 0.00 0 ATOM 27 H RBP 0 2.9464 -7.2174 1.5693 0.00 0.00 0 ATOM 28 H RBP 0 2.7241 -4.5213 1.2234 0.00 0.00 0 ATOM 29 H RBP 0 1.7819 -5.3235 2.4621 0.00 0.00 0 ATOM 30 H RBP 0 0.0143 -4.2860 1.2267 0.00 0.00 0 ATOM 31 H RBP 0 -0.6682 -6.4568 -0.2360 0.00 0.00 0 ATOM 32 H RBP 0 -0.6188 -6.5152 1.5220 0.00 0.00 0 ATOM 33 C RBP 0 0.8524 -4.4288 -0.7364 0.00 0.00 0 ATOM 34 O RBP 0 0.6552 -5.1077 -1.7132 0.00 0.00 0 ATOM 35 N RBP 0 1.3009 -3.1598 -0.8515 0.00 0.00 0 ATOM 36 C RBP 0 1.3912 -2.5723 -2.1848 0.00 0.00 0 ATOM 37 C RBP 0 1.7610 -1.1123 -1.9168 0.00 0.00 0 ATOM 38 C RBP 0 1.1729 -0.8340 -0.5192 0.00 0.00 0 ATOM 39 C RBP 0 1.4255 -2.1579 0.2011 0.00 0.00 0 ATOM 40 H RBP 0 0.4361 -2.6613 -2.6887 0.00 0.00 0 ATOM 41 H RBP 0 2.1278 -3.0870 -2.7869 0.00 0.00 0 ATOM 42 H RBP 0 1.3890 -0.4515 -2.6887 0.00 0.00 0 ATOM 43 H RBP 0 2.8391 -0.9962 -1.8754 0.00 0.00 0 ATOM 44 H RBP 0 1.6856 -0.0228 -0.0181 0.00 0.00 0 ATOM 45 H RBP 0 0.7197 -2.3166 0.9978 0.00 0.00 0 ATOM 46 H RBP 0 2.4293 -2.1595 0.6171 0.00 0.00 0 ATOM 47 C RBP 0 -0.3214 -0.5188 -0.5659 0.00 0.00 0 ATOM 48 O RBP 0 -1.1399 -1.3099 -0.1673 0.00 0.00 0 ATOM 49 N RBP 0 -0.7003 0.6693 -1.0851 0.00 0.00 0 ATOM 50 C RBP 0 -2.1069 1.0499 -0.9922 0.00 0.00 0 ATOM 51 C RBP 0 -2.1250 2.5076 -1.4579 0.00 0.00 0 ATOM 52 C RBP 0 -0.7109 3.0209 -1.1197 0.00 0.00 0 ATOM 53 C RBP 0 0.1516 1.7998 -1.4353 0.00 0.00 0 ATOM 54 H RBP 0 -2.4443 0.9488 0.0322 0.00 0.00 0 ATOM 55 H RBP 0 -2.7252 0.4079 -1.6051 0.00 0.00 0 ATOM 56 H RBP 0 -2.9203 3.0723 -0.9894 0.00 0.00 0 ATOM 57 H RBP 0 -2.2717 2.5612 -2.5316 0.00 0.00 0 ATOM 58 H RBP 0 -0.4269 3.8610 -1.7407 0.00 0.00 0 ATOM 59 H RBP 0 1.0700 1.8047 -0.8747 0.00 0.00 0 ATOM 60 H RBP 0 0.3893 1.7877 -2.4955 0.00 0.00 0 ATOM 61 C RBP 0 -0.5696 3.4171 0.3490 0.00 0.00 0 ATOM 62 O RBP 0 0.0576 2.7364 1.1220 0.00 0.00 0 ATOM 63 N RBP 0 -1.1882 4.5450 0.7621 0.00 0.00 0 ATOM 64 C RBP 0 -0.9460 5.0092 2.1247 0.00 0.00 0 ATOM 65 C RBP 0 -1.6502 6.3657 2.1789 0.00 0.00 0 ATOM 66 C RBP 0 -1.6069 6.8622 0.7191 0.00 0.00 0 ATOM 67 C RBP 0 -1.8180 5.5670 -0.0658 0.00 0.00 0 ATOM 68 H RBP 0 0.1199 5.1002 2.2957 0.00 0.00 0 ATOM 69 H RBP 0 -1.3358 4.3069 2.8487 0.00 0.00 0 ATOM 70 H RBP 0 -1.1805 7.0390 2.8842 0.00 0.00 0 ATOM 71 H RBP 0 -2.6856 6.2436 2.4790 0.00 0.00 0 ATOM 72 H RBP 0 -2.4018 7.5675 0.5131 0.00 0.00 0 ATOM 73 H RBP 0 -1.3779 5.6210 -1.0469 0.00 0.00 0 ATOM 74 H RBP 0 -2.8822 5.3759 -0.1709 0.00 0.00 0 ATOM 75 C RBP 0 -0.2613 7.4954 0.3714 0.00 0.00 0 ATOM 76 O RBP 0 0.5579 6.9018 -0.2842 0.00 0.00 0 ATOM 77 N RBP 0 -0.0062 8.7351 0.8449 0.00 0.00 0 ATOM 78 C RBP 0 1.2551 9.3809 0.4882 0.00 0.00 0 ATOM 79 C RBP 0 1.1756 10.7372 1.1890 0.00 0.00 0 ATOM 80 C RBP 0 -0.3360 11.0225 1.2574 0.00 0.00 0 ATOM 81 C RBP 0 -0.9265 9.6392 1.5264 0.00 0.00 0 ATOM 82 H RBP 0 1.3264 9.4826 -0.5890 0.00 0.00 0 ATOM 83 H RBP 0 2.0968 8.7868 0.8153 0.00 0.00 0 ATOM 84 H RBP 0 1.5617 10.6620 2.1997 0.00 0.00 0 ATOM 85 H RBP 0 1.7317 11.5105 0.6775 0.00 0.00 0 ATOM 86 H RBP 0 -0.5707 11.7277 2.0461 0.00 0.00 0 ATOM 87 H RBP 0 -1.9315 9.5550 1.1458 0.00 0.00 0 ATOM 88 H RBP 0 -0.9429 9.4490 2.5954 0.00 0.00 0 ATOM 89 C RBP 0 -0.8585 11.6116 -0.0401 0.00 0.00 0 ATOM 90 O RBP 0 -1.6211 11.0759 -0.7786 0.00 0.00 0 ATOM 91 O RBP 0 -0.3612 12.8177 -0.2532 0.00 0.00 0 ATOM 92 C RBP 0 -0.7692 13.4873 -1.4365 0.00 0.00 0 ATOM 93 H RBP 0 -0.4829 12.9187 -2.3091 0.00 0.00 0 ATOM 94 H RBP 0 -1.8397 13.6309 -1.4379 0.00 0.00 0 ATOM 95 H RBP 0 -0.2622 14.4388 -1.4245 0.00 0.00 0 END REMARK (R)trans-Ax(-85) ATOM 1 N RBP 0 -0.6908-11.5115 -0.7645 0.00 0.00 0 ATOM 2 C RBP 0 -0.2739-11.2502 -2.1388 0.00 0.00 0 ATOM 3 C RBP 0 0.8530-10.2289 -1.9748 0.00 0.00 0 ATOM 4 C RBP 0 0.5160 -9.4850 -0.6762 0.00 0.00 0 ATOM 5 C RBP 0 -0.1073-10.5909 0.1980 0.00 0.00 0 ATOM 6 H RBP 0 -1.0853-10.8337 -2.7204 0.00 0.00 0 ATOM 7 H RBP 0 0.0741-12.1553 -2.6231 0.00 0.00 0 ATOM 8 H RBP 0 0.9316 -9.5708 -2.8282 0.00 0.00 0 ATOM 9 H RBP 0 1.8008-10.7423 -1.8467 0.00 0.00 0 ATOM 10 H RBP 0 1.4080 -9.0876 -0.2093 0.00 0.00 0 ATOM 11 H RBP 0 -0.8667-10.2322 0.8780 0.00 0.00 0 ATOM 12 H RBP 0 0.6540-11.0869 0.7917 0.00 0.00 0 ATOM 13 C RBP 0 -1.5785-12.4429 -0.3512 0.00 0.00 0 ATOM 14 O RBP 0 -1.8666-12.5706 0.8114 0.00 0.00 0 ATOM 15 C RBP 0 -2.1889-13.3256 -1.4196 0.00 0.00 0 ATOM 16 H RBP 0 -2.9264-13.9607 -0.9520 0.00 0.00 0 ATOM 17 H RBP 0 -2.6594-12.7360 -2.1988 0.00 0.00 0 ATOM 18 H RBP 0 -1.4297-13.9458 -1.8854 0.00 0.00 0 ATOM 19 C RBP 0 -0.4781 -8.3547 -0.9195 0.00 0.00 0 ATOM 20 O RBP 0 -1.1636 -8.3232 -1.9128 0.00 0.00 0 ATOM 21 N RBP 0 -0.5742 -7.4032 0.0311 0.00 0.00 0 ATOM 22 C RBP 0 0.2137 -7.2893 1.2580 0.00 0.00 0 ATOM 23 C RBP 0 -0.4686 -6.1445 2.0074 0.00 0.00 0 ATOM 24 C RBP 0 -1.0711 -5.2641 0.9056 0.00 0.00 0 ATOM 25 C RBP 0 -1.4988 -6.2939 -0.1578 0.00 0.00 0 ATOM 26 H RBP 0 0.1904 -8.2086 1.8296 0.00 0.00 0 ATOM 27 H RBP 0 1.2421 -7.0390 1.0361 0.00 0.00 0 ATOM 28 H RBP 0 -1.2732 -6.5343 2.6225 0.00 0.00 0 ATOM 29 H RBP 0 0.2219 -5.6095 2.6434 0.00 0.00 0 ATOM 30 H RBP 0 -1.9295 -4.7148 1.2693 0.00 0.00 0 ATOM 31 H RBP 0 -2.5210 -6.6177 0.0078 0.00 0.00 0 ATOM 32 H RBP 0 -1.4346 -5.9244 -1.1712 0.00 0.00 0 ATOM 33 C RBP 0 -0.0432 -4.2907 0.3393 0.00 0.00 0 ATOM 34 O RBP 0 1.1417 -4.4817 0.4709 0.00 0.00 0 ATOM 35 N RBP 0 -0.5124 -3.2209 -0.3337 0.00 0.00 0 ATOM 36 C RBP 0 -1.9105 -2.8445 -0.5419 0.00 0.00 0 ATOM 37 C RBP 0 -1.8157 -1.6719 -1.5186 0.00 0.00 0 ATOM 38 C RBP 0 -0.4516 -1.0342 -1.2281 0.00 0.00 0 ATOM 39 C RBP 0 0.4267 -2.2517 -0.8817 0.00 0.00 0 ATOM 40 H RBP 0 -2.3694 -2.5308 0.3855 0.00 0.00 0 ATOM 41 H RBP 0 -2.4824 -3.6642 -0.9586 0.00 0.00 0 ATOM 42 H RBP 0 -2.6376 -0.9805 -1.4005 0.00 0.00 0 ATOM 43 H RBP 0 -1.8190 -2.0406 -2.5393 0.00 0.00 0 ATOM 44 H RBP 0 -0.0650 -0.5226 -2.0998 0.00 0.00 0 ATOM 45 H RBP 0 1.2027 -2.0373 -0.1611 0.00 0.00 0 ATOM 46 H RBP 0 0.9064 -2.6468 -1.7711 0.00 0.00 0 ATOM 47 C RBP 0 -0.5242 -0.0633 -0.0546 0.00 0.00 0 ATOM 48 O RBP 0 -1.4243 -0.1157 0.7483 0.00 0.00 0 ATOM 49 N RBP 0 0.4698 0.8399 0.0612 0.00 0.00 0 ATOM 50 C RBP 0 1.5974 1.0426 -0.8484 0.00 0.00 0 ATOM 51 C RBP 0 2.4667 2.0596 -0.1078 0.00 0.00 0 ATOM 52 C RBP 0 1.4803 2.8622 0.7494 0.00 0.00 0 ATOM 53 C RBP 0 0.4404 1.8005 1.1557 0.00 0.00 0 ATOM 54 H RBP 0 2.1319 0.1180 -1.0274 0.00 0.00 0 ATOM 55 H RBP 0 1.2640 1.4453 -1.7949 0.00 0.00 0 ATOM 56 H RBP 0 3.1604 1.5438 0.5484 0.00 0.00 0 ATOM 57 H RBP 0 3.0335 2.6782 -0.7886 0.00 0.00 0 ATOM 58 H RBP 0 1.9662 3.2729 1.6246 0.00 0.00 0 ATOM 59 H RBP 0 0.7209 1.3236 2.0890 0.00 0.00 0 ATOM 60 H RBP 0 -0.5583 2.1940 1.2782 0.00 0.00 0 ATOM 61 C RBP 0 0.8278 3.9854 -0.0489 0.00 0.00 0 ATOM 62 O RBP 0 0.8052 3.9669 -1.2558 0.00 0.00 0 ATOM 63 N RBP 0 0.2571 4.9878 0.6493 0.00 0.00 0 ATOM 64 C RBP 0 0.2381 5.1617 2.1016 0.00 0.00 0 ATOM 65 C RBP 0 -0.6940 6.3577 2.2992 0.00 0.00 0 ATOM 66 C RBP 0 -0.5509 7.1787 1.0115 0.00 0.00 0 ATOM 67 C RBP 0 -0.3664 6.0925 -0.0657 0.00 0.00 0 ATOM 68 H RBP 0 1.2270 5.3839 2.4781 0.00 0.00 0 ATOM 69 H RBP 0 -0.1387 4.2776 2.6006 0.00 0.00 0 ATOM 70 H RBP 0 -0.4459 6.9205 3.1876 0.00 0.00 0 ATOM 71 H RBP 0 -1.7206 6.0159 2.3831 0.00 0.00 0 ATOM 72 H RBP 0 -1.4429 7.7597 0.8164 0.00 0.00 0 ATOM 73 H RBP 0 0.2586 6.4001 -0.8918 0.00 0.00 0 ATOM 74 H RBP 0 -1.3243 5.7897 -0.4756 0.00 0.00 0 ATOM 75 C RBP 0 0.6616 8.1012 1.0660 0.00 0.00 0 ATOM 76 O RBP 0 1.5722 7.8969 1.8304 0.00 0.00 0 ATOM 77 N RBP 0 0.6835 9.1449 0.2104 0.00 0.00 0 ATOM 78 C RBP 0 -0.3419 9.5183 -0.7642 0.00 0.00 0 ATOM 79 C RBP 0 0.3339 10.6226 -1.5805 0.00 0.00 0 ATOM 80 C RBP 0 1.3224 11.2594 -0.6011 0.00 0.00 0 ATOM 81 C RBP 0 1.8227 10.0557 0.2137 0.00 0.00 0 ATOM 82 H RBP 0 -0.6253 8.6795 -1.3869 0.00 0.00 0 ATOM 83 H RBP 0 -1.2283 9.8964 -0.2700 0.00 0.00 0 ATOM 84 H RBP 0 0.8880 10.1870 -2.4052 0.00 0.00 0 ATOM 85 H RBP 0 -0.3811 11.3269 -1.9814 0.00 0.00 0 ATOM 86 H RBP 0 2.1483 11.7531 -1.0981 0.00 0.00 0 ATOM 87 H RBP 0 2.6799 9.5988 -0.2686 0.00 0.00 0 ATOM 88 H RBP 0 2.1101 10.3056 1.2235 0.00 0.00 0 ATOM 89 C RBP 0 0.6573 12.2834 0.2972 0.00 0.00 0 ATOM 90 O RBP 0 -0.5136 12.4834 0.3618 0.00 0.00 0 ATOM 91 O RBP 0 1.5495 12.9383 1.0209 0.00 0.00 0 ATOM 92 C RBP 0 1.0596 13.9099 1.9310 0.00 0.00 0 ATOM 93 H RBP 0 1.9297 14.3216 2.4172 0.00 0.00 0 ATOM 94 H RBP 0 0.5218 14.6837 1.4031 0.00 0.00 0 ATOM 95 H RBP 0 0.4052 13.4505 2.6573 0.00 0.00 0 END REMARK (R)trans-Ax(-155) ATOM 1 N RBP 0 -0.8422-10.8612 0.3813 0.00 0.00 0 ATOM 2 C RBP 0 -0.1988 -9.8784 1.2387 0.00 0.00 0 ATOM 3 C RBP 0 -1.0078 -8.6113 0.9688 0.00 0.00 0 ATOM 4 C RBP 0 -1.3964 -8.7417 -0.5225 0.00 0.00 0 ATOM 5 C RBP 0 -1.5964-10.2520 -0.7074 0.00 0.00 0 ATOM 6 H RBP 0 0.8418 -9.7379 0.9676 0.00 0.00 0 ATOM 7 H RBP 0 -0.2471-10.1687 2.2808 0.00 0.00 0 ATOM 8 H RBP 0 -0.4511 -7.7090 1.1908 0.00 0.00 0 ATOM 9 H RBP 0 -1.9085 -8.6144 1.5738 0.00 0.00 0 ATOM 10 H RBP 0 -2.3117 -8.2067 -0.7325 0.00 0.00 0 ATOM 11 H RBP 0 -1.2341-10.6039 -1.6610 0.00 0.00 0 ATOM 12 H RBP 0 -2.6450-10.5154 -0.6256 0.00 0.00 0 ATOM 13 C RBP 0 -0.6402-12.1964 0.3901 0.00 0.00 0 ATOM 14 O RBP 0 -1.1673-12.9225 -0.4132 0.00 0.00 0 ATOM 15 C RBP 0 0.2658-12.7462 1.4732 0.00 0.00 0 ATOM 16 H RBP 0 0.3712-13.8095 1.3163 0.00 0.00 0 ATOM 17 H RBP 0 1.2438-12.2779 1.4446 0.00 0.00 0 ATOM 18 H RBP 0 -0.1579-12.5723 2.4573 0.00 0.00 0 ATOM 19 C RBP 0 -0.2516 -8.2024 -1.3690 0.00 0.00 0 ATOM 20 O RBP 0 0.6780 -8.9076 -1.6742 0.00 0.00 0 ATOM 21 N RBP 0 -0.2879 -6.8956 -1.7086 0.00 0.00 0 ATOM 22 C RBP 0 -1.3119 -5.9242 -1.3415 0.00 0.00 0 ATOM 23 C RBP 0 -0.8176 -4.6286 -1.9864 0.00 0.00 0 ATOM 24 C RBP 0 0.7194 -4.7725 -1.9593 0.00 0.00 0 ATOM 25 C RBP 0 0.9214 -6.2657 -2.2278 0.00 0.00 0 ATOM 26 H RBP 0 -2.2841 -6.2069 -1.7264 0.00 0.00 0 ATOM 27 H RBP 0 -1.3856 -5.8139 -0.2664 0.00 0.00 0 ATOM 28 H RBP 0 -1.1507 -4.5764 -3.0177 0.00 0.00 0 ATOM 29 H RBP 0 -1.1800 -3.7497 -1.4674 0.00 0.00 0 ATOM 30 H RBP 0 1.1828 -4.1751 -2.7318 0.00 0.00 0 ATOM 31 H RBP 0 1.0194 -6.4510 -3.2926 0.00 0.00 0 ATOM 32 H RBP 0 1.7905 -6.6701 -1.7341 0.00 0.00 0 ATOM 33 C RBP 0 1.2242 -4.3662 -0.5811 0.00 0.00 0 ATOM 34 O RBP 0 1.2452 -5.1593 0.3290 0.00 0.00 0 ATOM 35 N RBP 0 1.5877 -3.0791 -0.4035 0.00 0.00 0 ATOM 36 C RBP 0 1.5342 -2.0114 -1.3965 0.00 0.00 0 ATOM 37 C RBP 0 2.0270 -0.7856 -0.6261 0.00 0.00 0 ATOM 38 C RBP 0 1.5730 -1.0604 0.8238 0.00 0.00 0 ATOM 39 C RBP 0 1.7660 -2.5729 0.9535 0.00 0.00 0 ATOM 40 H RBP 0 0.5243 -1.8577 -1.7567 0.00 0.00 0 ATOM 41 H RBP 0 2.1738 -2.2249 -2.2441 0.00 0.00 0 ATOM 42 H RBP 0 1.6360 0.1376 -1.0356 0.00 0.00 0 ATOM 43 H RBP 0 3.1106 -0.7389 -0.6554 0.00 0.00 0 ATOM 44 H RBP 0 2.1896 -0.5296 1.5354 0.00 0.00 0 ATOM 45 H RBP 0 1.0527 -3.0351 1.6169 0.00 0.00 0 ATOM 46 H RBP 0 2.7635 -2.7994 1.3159 0.00 0.00 0 ATOM 47 C RBP 0 0.1106 -0.6587 0.9638 0.00 0.00 0 ATOM 48 O RBP 0 -0.7731 -1.4247 0.6637 0.00 0.00 0 ATOM 49 N RBP 0 -0.1555 0.5978 1.3771 0.00 0.00 0 ATOM 50 C RBP 0 0.8181 1.6375 1.6927 0.00 0.00 0 ATOM 51 C RBP 0 -0.0537 2.8405 2.0567 0.00 0.00 0 ATOM 52 C RBP 0 -1.3224 2.6440 1.1992 0.00 0.00 0 ATOM 53 C RBP 0 -1.5070 1.1250 1.2197 0.00 0.00 0 ATOM 54 H RBP 0 1.4531 1.3489 2.5213 0.00 0.00 0 ATOM 55 H RBP 0 1.4457 1.8627 0.8392 0.00 0.00 0 ATOM 56 H RBP 0 -0.3254 2.7990 3.1062 0.00 0.00 0 ATOM 57 H RBP 0 0.4524 3.7806 1.8738 0.00 0.00 0 ATOM 58 H RBP 0 -2.1747 3.1426 1.6389 0.00 0.00 0 ATOM 59 H RBP 0 -2.1308 0.8291 2.0569 0.00 0.00 0 ATOM 60 H RBP 0 -1.9508 0.7403 0.3156 0.00 0.00 0 ATOM 61 C RBP 0 -1.0507 3.1648 -0.2058 0.00 0.00 0 ATOM 62 O RBP 0 -0.5147 2.4669 -1.0319 0.00 0.00 0 ATOM 63 N RBP 0 -1.3763 4.4473 -0.4723 0.00 0.00 0 ATOM 64 C RBP 0 -1.9559 5.4130 0.4538 0.00 0.00 0 ATOM 65 C RBP 0 -2.0801 6.6809 -0.3928 0.00 0.00 0 ATOM 66 C RBP 0 -0.9042 6.5742 -1.3865 0.00 0.00 0 ATOM 67 C RBP 0 -0.8589 5.0732 -1.6847 0.00 0.00 0 ATOM 68 H RBP 0 -1.3081 5.5795 1.3063 0.00 0.00 0 ATOM 69 H RBP 0 -2.9235 5.0874 0.8153 0.00 0.00 0 ATOM 70 H RBP 0 -2.0630 7.5818 0.2089 0.00 0.00 0 ATOM 71 H RBP 0 -3.0124 6.6671 -0.9468 0.00 0.00 0 ATOM 72 H RBP 0 -1.1001 7.1402 -2.2861 0.00 0.00 0 ATOM 73 H RBP 0 0.1356 4.7122 -1.8919 0.00 0.00 0 ATOM 74 H RBP 0 -1.4903 4.8361 -2.5345 0.00 0.00 0 ATOM 75 C RBP 0 0.3748 7.0542 -0.7120 0.00 0.00 0 ATOM 76 O RBP 0 1.0278 6.3114 -0.0196 0.00 0.00 0 ATOM 77 N RBP 0 0.7142 8.3510 -0.8708 0.00 0.00 0 ATOM 78 C RBP 0 0.0166 9.3576 -1.6729 0.00 0.00 0 ATOM 79 C RBP 0 0.8416 10.6315 -1.4528 0.00 0.00 0 ATOM 80 C RBP 0 1.5408 10.4106 -0.1090 0.00 0.00 0 ATOM 81 C RBP 0 1.8426 8.9042 -0.1335 0.00 0.00 0 ATOM 82 H RBP 0 -0.0086 9.0818 -2.7203 0.00 0.00 0 ATOM 83 H RBP 0 -0.9989 9.4930 -1.3262 0.00 0.00 0 ATOM 84 H RBP 0 1.5954 10.7255 -2.2270 0.00 0.00 0 ATOM 85 H RBP 0 0.2248 11.5191 -1.4706 0.00 0.00 0 ATOM 86 H RBP 0 2.4512 10.9867 -0.0059 0.00 0.00 0 ATOM 87 H RBP 0 2.7768 8.7147 -0.6519 0.00 0.00 0 ATOM 88 H RBP 0 1.9122 8.4558 0.8452 0.00 0.00 0 ATOM 89 C RBP 0 0.6413 10.7404 1.0640 0.00 0.00 0 ATOM 90 O RBP 0 -0.5397 10.8762 1.0038 0.00 0.00 0 ATOM 91 O RBP 0 1.3303 10.8374 2.1876 0.00 0.00 0 ATOM 92 C RBP 0 0.6017 11.1032 3.3757 0.00 0.00 0 ATOM 93 H RBP 0 1.3344 11.1466 4.1656 0.00 0.00 0 ATOM 94 H RBP 0 0.0791 12.0450 3.2946 0.00 0.00 0 ATOM 95 H RBP 0 -0.1103 10.3135 3.5664 0.00 0.00 0 END REMARK (R)trans-Eq(-94) ATOM 1 N RBP 0 0.2351-12.2238 0.0397 0.00 0.00 0 ATOM 2 C RBP 0 -1.1865-12.5335 0.1386 0.00 0.00 0 ATOM 3 C RBP 0 -1.8285-11.1648 0.3696 0.00 0.00 0 ATOM 4 C RBP 0 -0.8863-10.2039 -0.3602 0.00 0.00 0 ATOM 5 C RBP 0 0.4996-10.7957 -0.0534 0.00 0.00 0 ATOM 6 H RBP 0 -1.3920-13.2172 0.9530 0.00 0.00 0 ATOM 7 H RBP 0 -1.5503-12.9902 -0.7786 0.00 0.00 0 ATOM 8 H RBP 0 -1.8383-10.9196 1.4226 0.00 0.00 0 ATOM 9 H RBP 0 -2.8468-11.1196 0.0024 0.00 0.00 0 ATOM 10 H RBP 0 -1.0643-10.2727 -1.4266 0.00 0.00 0 ATOM 11 H RBP 0 0.8864-10.4144 0.8859 0.00 0.00 0 ATOM 12 H RBP 0 1.2328-10.5977 -0.8218 0.00 0.00 0 ATOM 13 C RBP 0 1.2608-13.1061 0.0296 0.00 0.00 0 ATOM 14 O RBP 0 2.4053-12.7420 -0.0459 0.00 0.00 0 ATOM 15 C RBP 0 0.9012-14.5743 0.1229 0.00 0.00 0 ATOM 16 H RBP 0 0.4777-14.8016 1.0960 0.00 0.00 0 ATOM 17 H RBP 0 1.8036-15.1517 -0.0117 0.00 0.00 0 ATOM 18 H RBP 0 0.1737-14.8577 -0.6299 0.00 0.00 0 ATOM 19 C RBP 0 -1.0054 -8.7641 0.1181 0.00 0.00 0 ATOM 20 O RBP 0 -1.3413 -8.5167 1.2489 0.00 0.00 0 ATOM 21 N RBP 0 -0.6784 -7.7827 -0.7500 0.00 0.00 0 ATOM 22 C RBP 0 -0.2591 -7.9222 -2.1436 0.00 0.00 0 ATOM 23 C RBP 0 -0.1751 -6.4759 -2.6369 0.00 0.00 0 ATOM 24 C RBP 0 0.1603 -5.6821 -1.3722 0.00 0.00 0 ATOM 25 C RBP 0 -0.6798 -6.3953 -0.3020 0.00 0.00 0 ATOM 26 H RBP 0 0.7034 -8.4201 -2.2117 0.00 0.00 0 ATOM 27 H RBP 0 -0.9735 -8.4943 -2.7220 0.00 0.00 0 ATOM 28 H RBP 0 0.5616 -6.3541 -3.4218 0.00 0.00 0 ATOM 29 H RBP 0 -1.1318 -6.1457 -3.0173 0.00 0.00 0 ATOM 30 H RBP 0 1.2085 -5.8147 -1.1346 0.00 0.00 0 ATOM 31 H RBP 0 -0.2650 -6.3237 0.6924 0.00 0.00 0 ATOM 32 H RBP 0 -1.6901 -6.0010 -0.2761 0.00 0.00 0 ATOM 33 C RBP 0 -0.1979 -4.2065 -1.4762 0.00 0.00 0 ATOM 34 O RBP 0 -1.1446 -3.8514 -2.1328 0.00 0.00 0 ATOM 35 N RBP 0 0.5455 -3.3245 -0.7757 0.00 0.00 0 ATOM 36 C RBP 0 1.7136 -3.6013 0.0596 0.00 0.00 0 ATOM 37 C RBP 0 2.1975 -2.2081 0.4685 0.00 0.00 0 ATOM 38 C RBP 0 0.9210 -1.3637 0.4562 0.00 0.00 0 ATOM 39 C RBP 0 0.1724 -1.9149 -0.7665 0.00 0.00 0 ATOM 40 H RBP 0 2.4785 -4.1387 -0.4862 0.00 0.00 0 ATOM 41 H RBP 0 1.4388 -4.1955 0.9260 0.00 0.00 0 ATOM 42 H RBP 0 2.8882 -1.8137 -0.2638 0.00 0.00 0 ATOM 43 H RBP 0 2.6926 -2.2145 1.4321 0.00 0.00 0 ATOM 44 H RBP 0 0.3406 -1.5805 1.3443 0.00 0.00 0 ATOM 45 H RBP 0 0.5024 -1.4244 -1.6759 0.00 0.00 0 ATOM 46 H RBP 0 -0.9005 -1.8134 -0.6988 0.00 0.00 0 ATOM 47 C RBP 0 1.1898 0.1286 0.3233 0.00 0.00 0 ATOM 48 O RBP 0 2.1261 0.5252 -0.3243 0.00 0.00 0 ATOM 49 N RBP 0 0.3248 0.9825 0.9095 0.00 0.00 0 ATOM 50 C RBP 0 -0.8496 0.6550 1.7172 0.00 0.00 0 ATOM 51 C RBP 0 -1.3376 2.0204 2.2070 0.00 0.00 0 ATOM 52 C RBP 0 -0.8851 2.9826 1.1062 0.00 0.00 0 ATOM 53 C RBP 0 0.4903 2.4186 0.7195 0.00 0.00 0 ATOM 54 H RBP 0 -1.6051 0.1555 1.1181 0.00 0.00 0 ATOM 55 H RBP 0 -0.5975 0.0069 2.5469 0.00 0.00 0 ATOM 56 H RBP 0 -2.4084 2.0366 2.3706 0.00 0.00 0 ATOM 57 H RBP 0 -0.8503 2.2903 3.1336 0.00 0.00 0 ATOM 58 H RBP 0 -1.5490 2.8904 0.2555 0.00 0.00 0 ATOM 59 H RBP 0 0.7735 2.6295 -0.3009 0.00 0.00 0 ATOM 60 H RBP 0 1.2650 2.8055 1.3728 0.00 0.00 0 ATOM 61 C RBP 0 -0.7877 4.4276 1.5745 0.00 0.00 0 ATOM 62 O RBP 0 -0.4752 4.6825 2.7103 0.00 0.00 0 ATOM 63 N RBP 0 -1.0141 5.4025 0.6688 0.00 0.00 0 ATOM 64 C RBP 0 -1.3918 5.2496 -0.7357 0.00 0.00 0 ATOM 65 C RBP 0 -1.6246 6.6889 -1.2014 0.00 0.00 0 ATOM 66 C RBP 0 -0.7016 7.5141 -0.3022 0.00 0.00 0 ATOM 67 C RBP 0 -0.8311 6.7976 1.0506 0.00 0.00 0 ATOM 68 H RBP 0 -2.2867 4.6507 -0.8474 0.00 0.00 0 ATOM 69 H RBP 0 -0.5964 4.7738 -1.3015 0.00 0.00 0 ATOM 70 H RBP 0 -2.6486 6.9871 -1.0243 0.00 0.00 0 ATOM 71 H RBP 0 -1.4138 6.8160 -2.2563 0.00 0.00 0 ATOM 72 H RBP 0 0.3194 7.4137 -0.6500 0.00 0.00 0 ATOM 73 H RBP 0 -1.6923 7.1615 1.6010 0.00 0.00 0 ATOM 74 H RBP 0 0.0390 6.9004 1.6814 0.00 0.00 0 ATOM 75 C RBP 0 -1.1070 8.9781 -0.2072 0.00 0.00 0 ATOM 76 O RBP 0 -2.2622 9.3029 -0.3119 0.00 0.00 0 ATOM 77 N RBP 0 -0.1402 9.8883 0.0412 0.00 0.00 0 ATOM 78 C RBP 0 1.2932 9.6524 0.1931 0.00 0.00 0 ATOM 79 C RBP 0 1.8769 11.0643 0.2678 0.00 0.00 0 ATOM 80 C RBP 0 0.7436 11.8776 0.9099 0.00 0.00 0 ATOM 81 C RBP 0 -0.5079 11.2861 0.2499 0.00 0.00 0 ATOM 82 H RBP 0 1.5050 9.0934 1.0996 0.00 0.00 0 ATOM 83 H RBP 0 1.7019 9.1023 -0.6444 0.00 0.00 0 ATOM 84 H RBP 0 2.7979 11.0987 0.8364 0.00 0.00 0 ATOM 85 H RBP 0 2.0764 11.4363 -0.7299 0.00 0.00 0 ATOM 86 H RBP 0 0.7168 11.6868 1.9753 0.00 0.00 0 ATOM 87 H RBP 0 -1.3848 11.3543 0.8762 0.00 0.00 0 ATOM 88 H RBP 0 -0.7283 11.7681 -0.6945 0.00 0.00 0 ATOM 89 C RBP 0 0.8914 13.3735 0.7552 0.00 0.00 0 ATOM 90 O RBP 0 0.9929 14.1303 1.6653 0.00 0.00 0 ATOM 91 O RBP 0 0.9076 13.7540 -0.5138 0.00 0.00 0 ATOM 92 C RBP 0 1.0451 15.1425 -0.7689 0.00 0.00 0 ATOM 93 H RBP 0 0.2259 15.6900 -0.3266 0.00 0.00 0 ATOM 94 H RBP 0 1.9783 15.5092 -0.3672 0.00 0.00 0 ATOM 95 H RBP 0 1.0307 15.2469 -1.8423 0.00 0.00 0 END