TITLE spiroringsi transition state REMARK 1 File created by GaussView 5.0.9 HETATM 1 C 0 -0.518 3.703 -0.555 C HETATM 2 C 0 -1.805 3.627 -0.002 C HETATM 3 C 0 -2.527 4.807 0.206 C HETATM 4 C 0 -1.972 6.042 -0.136 C HETATM 5 C 0 -0.691 6.111 -0.685 C HETATM 6 C 0 0.037 4.937 -0.894 C HETATM 7 C 0 -2.339 2.251 0.400 C HETATM 8 N 0 -1.764 1.916 1.721 N HETATM 9 C 0 -1.709 0.527 2.151 C HETATM 10 C 0 -1.974 0.276 3.625 C HETATM 11 C 0 -1.513 1.149 4.620 C HETATM 12 C 0 -1.761 0.873 5.966 C HETATM 13 C 0 -2.469 -0.274 6.331 C HETATM 14 C 0 -2.938 -1.141 5.344 C HETATM 15 C 0 -2.694 -0.866 3.997 C HETATM 16 O 0 -0.041 -0.126 -1.337 O HETATM 17 B 0 1.116 -1.063 -1.552 B HETATM 18 O 0 1.721 -1.123 -0.191 O HETATM 19 C 0 3.005 -1.566 -0.087 C HETATM 20 C 0 4.065 -0.829 -0.613 C HETATM 21 C 0 5.388 -1.394 -0.560 C HETATM 22 C 0 5.609 -2.624 0.148 C HETATM 23 C 0 4.503 -3.286 0.741 C HETATM 24 C 0 3.233 -2.783 0.606 C HETATM 25 C 0 6.505 -0.807 -1.221 C HETATM 26 C 0 7.759 -1.373 -1.152 C HETATM 27 C 0 7.977 -2.561 -0.416 C HETATM 28 C 0 6.918 -3.172 0.213 C HETATM 29 C 0 3.773 0.474 -1.271 C HETATM 30 C 0 2.786 0.514 -2.257 C HETATM 31 C 0 2.556 1.697 -3.009 C HETATM 32 C 0 3.244 2.851 -2.729 C HETATM 33 C 0 4.174 2.897 -1.656 C HETATM 34 C 0 4.435 1.698 -0.909 C HETATM 35 C 0 5.325 1.797 0.200 C HETATM 36 C 0 5.934 2.988 0.532 C HETATM 37 C 0 5.697 4.156 -0.230 C HETATM 38 C 0 4.832 4.103 -1.299 C HETATM 39 O 0 2.042 -0.575 -2.556 O HETATM 40 C 0 -1.077 -0.181 -2.223 C HETATM 41 C 0 -1.929 -1.281 -2.245 C HETATM 42 C 0 -2.986 -1.319 -3.221 C HETATM 43 C 0 -3.204 -0.180 -4.069 C HETATM 44 C 0 -2.339 0.941 -3.960 C HETATM 45 C 0 -1.290 0.934 -3.074 C HETATM 46 C 0 -4.258 -0.205 -5.022 C HETATM 47 C 0 -5.058 -1.314 -5.169 C HETATM 48 C 0 -4.821 -2.455 -4.367 C HETATM 49 C 0 -3.817 -2.458 -3.424 C HETATM 50 C 0 -1.641 -2.420 -1.330 C HETATM 51 C 0 -0.351 -2.962 -1.341 C HETATM 52 C 0 -0.078 -4.179 -0.658 C HETATM 53 C 0 -1.037 -4.781 0.119 C HETATM 54 C 0 -2.313 -4.177 0.293 C HETATM 55 C 0 -2.618 -2.978 -0.437 C HETATM 56 C 0 -3.876 -2.355 -0.189 C HETATM 57 C 0 -4.778 -2.890 0.707 C HETATM 58 C 0 -4.484 -4.090 1.398 C HETATM 59 C 0 -3.274 -4.715 1.189 C HETATM 60 O 0 0.656 -2.375 -2.014 O HETATM 61 H 0 -4.408 0.672 -5.648 H HETATM 62 H 0 -5.856 -1.323 -5.907 H HETATM 63 H 0 -5.432 -3.343 -4.502 H HETATM 64 H 0 -3.643 -3.349 -2.833 H HETATM 65 H 0 -2.503 1.798 -4.610 H HETATM 66 H 0 -0.603 1.770 -3.003 H HETATM 67 H 0 0.916 -4.602 -0.770 H HETATM 68 H 0 -0.819 -5.711 0.639 H HETATM 69 H 0 -4.119 -1.435 -0.709 H HETATM 70 H 0 -5.725 -2.385 0.880 H HETATM 71 H 0 -3.029 -5.632 1.722 H HETATM 72 H 0 -5.208 -4.511 2.090 H HETATM 73 H 0 4.672 -4.220 1.274 H HETATM 74 H 0 2.375 -3.307 1.013 H HETATM 75 H 0 3.073 3.751 -3.316 H HETATM 76 H 0 1.824 1.647 -3.809 H HETATM 77 H 0 6.356 0.094 -1.803 H HETATM 78 H 0 8.588 -0.904 -1.676 H HETATM 79 H 0 7.062 -4.100 0.763 H HETATM 80 H 0 8.973 -2.994 -0.365 H HETATM 81 H 0 4.629 4.996 -1.888 H HETATM 82 H 0 6.189 5.088 0.035 H HETATM 83 H 0 5.526 0.910 0.791 H HETATM 84 H 0 6.605 3.030 1.386 H HETATM 85 H 0 -0.965 2.484 1.988 H HETATM 86 H 0 -1.969 1.542 -0.352 H HETATM 87 H 0 -3.081 -1.537 3.233 H HETATM 88 H 0 -3.502 -2.029 5.618 H HETATM 89 H 0 -2.662 -0.484 7.379 H HETATM 90 H 0 -1.403 1.559 6.729 H HETATM 91 H 0 -0.971 2.050 4.351 H HETATM 92 H 0 -2.437 -0.032 1.557 H HETATM 93 H 0 -3.528 4.761 0.623 H HETATM 94 H 0 -2.545 6.951 0.026 H HETATM 95 H 0 -0.262 7.073 -0.951 H HETATM 96 H 0 1.035 4.974 -1.320 H HETATM 97 H 0 0.052 2.793 -0.726 H HETATM 98 C 0 -0.317 0.184 1.641 C HETATM 99 H 0 -0.210 0.149 0.546 H HETATM 100 C 0 0.896 0.756 2.367 C HETATM 101 O 0 1.746 -0.143 2.823 O HETATM 102 O 0 1.003 1.962 2.474 O HETATM 103 C 0 -3.859 2.125 0.421 C HETATM 104 C 0 -4.609 2.379 1.576 C HETATM 105 C 0 -4.527 1.755 -0.755 C HETATM 106 C 0 -6.002 2.271 1.553 C HETATM 107 H 0 -4.097 2.647 2.495 H HETATM 108 C 0 -5.918 1.649 -0.777 C HETATM 109 H 0 -3.956 1.552 -1.657 H HETATM 110 C 0 -6.660 1.907 0.378 C HETATM 111 H 0 -6.571 2.469 2.458 H HETATM 112 H 0 -6.418 1.356 -1.696 H HETATM 113 H 0 -7.743 1.820 0.362 H HETATM 114 N 0 -0.095 -1.626 1.876 N HETATM 115 N 0 -0.260 -2.636 2.299 N HETATM 116 C 0 2.975 0.379 3.432 C HETATM 117 H 0 2.687 1.099 4.202 H HETATM 118 H 0 3.527 0.905 2.649 H HETATM 119 C 0 3.737 -0.804 3.990 C HETATM 120 H 0 4.672 -0.449 4.437 H HETATM 121 H 0 3.159 -1.315 4.767 H HETATM 122 H 0 3.980 -1.519 3.199 H END CONECT 1 2 6 97 CONECT 2 1 3 7 CONECT 3 2 4 93 CONECT 4 3 5 94 CONECT 5 4 6 95 CONECT 6 1 5 96 CONECT 7 2 8 86 103 CONECT 8 7 9 85 CONECT 9 8 10 92 98 CONECT 10 9 11 15 CONECT 11 10 12 91 CONECT 12 11 13 90 CONECT 13 12 14 89 CONECT 14 13 15 88 CONECT 15 10 14 87 CONECT 16 17 40 CONECT 17 16 18 39 60 CONECT 18 17 19 CONECT 19 18 20 24 CONECT 20 19 21 29 CONECT 21 20 22 25 CONECT 22 21 23 28 CONECT 23 22 24 73 CONECT 24 23 19 74 CONECT 25 21 26 77 CONECT 26 25 27 78 CONECT 27 26 28 80 CONECT 28 22 27 79 CONECT 29 20 30 34 CONECT 30 29 31 39 CONECT 31 30 32 76 CONECT 32 31 33 75 CONECT 33 32 34 38 CONECT 34 29 33 35 CONECT 35 34 36 83 CONECT 36 35 37 84 CONECT 37 36 38 82 CONECT 38 33 37 81 CONECT 39 17 30 CONECT 40 16 41 45 CONECT 41 40 42 50 CONECT 42 41 43 49 CONECT 43 42 44 46 CONECT 44 43 45 65 CONECT 45 44 40 66 CONECT 46 43 47 61 CONECT 47 46 48 62 CONECT 48 47 49 63 CONECT 49 48 42 64 CONECT 50 41 51 55 CONECT 51 50 52 60 CONECT 52 51 53 67 CONECT 53 52 54 68 CONECT 54 53 55 59 CONECT 55 54 50 56 CONECT 56 55 57 69 CONECT 57 56 58 70 CONECT 58 57 59 72 CONECT 59 54 58 71 CONECT 60 51 17 CONECT 61 46 CONECT 62 47 CONECT 63 48 CONECT 64 49 CONECT 65 44 CONECT 66 45 CONECT 67 52 CONECT 68 53 CONECT 69 56 CONECT 70 57 CONECT 71 59 CONECT 72 58 CONECT 73 23 CONECT 74 24 CONECT 75 32 CONECT 76 31 CONECT 77 25 CONECT 78 26 CONECT 79 28 CONECT 80 27 CONECT 81 38 CONECT 82 37 CONECT 83 35 CONECT 84 36 CONECT 85 8 CONECT 86 7 CONECT 87 15 CONECT 88 14 CONECT 89 13 CONECT 90 12 CONECT 91 11 CONECT 92 9 CONECT 93 3 CONECT 94 4 CONECT 95 5 CONECT 96 6 CONECT 97 1 CONECT 98 9 99 100 CONECT 99 98 CONECT 100 98 101 102 CONECT 101 100 116 CONECT 102 100 CONECT 103 7 104 105 CONECT 104 103 106 107 CONECT 105 103 108 109 CONECT 106 104 110 111 CONECT 107 104 CONECT 108 105 110 112 CONECT 109 105 CONECT 110 106 108 113 CONECT 111 106 CONECT 112 108 CONECT 113 110 CONECT 114 115 CONECT 115 114 CONECT 116 101 117 118 119 CONECT 117 116 CONECT 118 116 CONECT 119 116 120 121 122 CONECT 120 119 CONECT 121 119 CONECT 122 119