JBT Converted by convert_cif2sdf.py 2024/03/29 11:09:15 152158 0 0 0 0 0 0 0 0999 V2000 -0.5714 -2.6088 1.9252 O 0 0 0 0 0 -0.5711 -3.1122 0.8218 C 0 0 0 0 0 0.5410 -3.0680 0.0623 N 0 0 0 0 0 1.7495 -2.4127 0.5677 C 0 0 0 0 0 2.8572 -2.5028 -0.4830 C 0 0 0 0 0 4.3529 -1.6899 0.1445 S 0 0 0 0 0 -1.8117 -3.7920 0.3033 C 0 0 0 0 0 -2.9184 -3.7070 1.3569 C 0 0 0 0 0 -4.1240 -4.3685 0.8532 N 0 0 0 0 0 -5.2341 -4.4168 1.6156 C 0 0 0 0 0 -5.2108 -3.9876 2.7494 O 0 0 0 0 0 -6.5052 -5.0060 1.0594 C 0 0 0 0 0 -6.2298 -5.6391 -0.1909 O 0 0 0 0 0 -7.5342 -3.8928 0.8514 C 0 0 0 0 0 -7.9493 -3.3222 2.2089 C 0 0 0 0 0 -6.9198 -2.7826 -0.0026 C 0 0 0 0 0 -8.7637 -4.4614 0.1410 C 0 0 0 0 0 -9.7250 -3.4220 -0.0534 O 0 0 0 0 0 -11.1452 -3.6644 -0.7735 P 0 0 0 0 0 -11.8670 -4.7571 -0.0853 O 0 0 0 0 0 -10.9039 -4.0664 -2.3135 O 0 0 0 0 0 -12.0195 -2.3150 -0.7018 O 0 0 0 0 0 -13.5907 -1.9919 -0.8412 P 0 0 0 0 0 -14.0232 -2.0820 -2.3893 O 0 0 0 0 0 -14.3684 -2.9750 -0.0541 O 0 0 0 0 0 -13.8853 -0.5083 -0.2879 O 0 0 0 0 0 -15.2017 0.0347 -0.1789 C 0 0 0 0 0 -15.1225 1.4567 0.3805 C 0 0 0 0 0 -16.5403 2.0192 0.6239 C 0 0 0 0 0 -16.9021 1.8863 2.0005 O 0 0 0 0 0 -18.1772 1.0370 2.4943 P 0 0 0 0 0 -18.0843 -0.3438 1.9682 O 0 0 0 0 0 -18.2044 0.9964 4.1039 O 0 0 0 0 0 -19.5255 1.7285 1.9523 O 0 0 0 0 0 -16.4253 3.5102 0.2354 C 0 0 0 0 0 -16.7124 4.3441 1.3599 O 0 0 0 0 0 -14.5355 2.3473 -0.5939 O 0 0 0 0 0 -14.9520 3.6720 -0.1971 C 0 0 0 0 0 -14.8512 4.5983 -1.3282 N 0 0 0 0 0 -14.7124 5.9609 -1.2521 C 0 0 0 0 0 -14.6279 6.8414 -0.2604 N 0 0 0 0 0 -14.4951 8.1262 -0.5135 C 0 0 0 0 0 -14.8725 4.2631 -2.6496 C 0 0 0 0 0 -14.7607 5.3336 -3.3810 N 0 0 0 0 0 -14.6577 6.4192 -2.5788 C 0 0 0 0 0 -14.5156 7.8008 -2.7982 C 0 0 0 0 0 -14.4386 8.6049 -1.7434 N 0 0 0 0 0 -14.4558 8.3106 -4.0830 N 0 0 0 0 0 15.8461 6.6054 4.8675 O 0 0 0 0 0 16.0116 6.5735 3.6601 C 0 0 0 0 0 15.9737 5.3480 2.9551 C 0 0 0 0 0 15.7795 4.0563 3.3177 N 0 0 0 0 0 15.8437 3.2987 2.2621 C 0 0 0 0 0 16.2295 7.7095 2.9606 N 0 0 0 0 0 16.4115 7.6628 1.6107 C 0 0 0 0 0 16.6315 8.8312 0.9274 N 0 0 0 0 0 16.3848 6.5298 0.9451 N 0 0 0 0 0 16.1691 5.3656 1.5695 C 0 0 0 0 0 16.0817 4.0633 1.1576 N 0 0 0 0 0 16.2202 3.5795 -0.2177 C 0 0 0 0 0 15.6447 2.2627 -0.3539 O 0 0 0 0 0 17.7137 3.3591 -0.5722 C 0 0 0 0 0 18.3100 4.5692 -1.0424 O 0 0 0 0 0 17.6271 2.3087 -1.7053 C 0 0 0 0 0 17.7113 2.9432 -2.9833 O 0 0 0 0 0 16.2419 1.6612 -1.5146 C 0 0 0 0 0 16.3975 0.1546 -1.2987 C 0 0 0 0 0 15.1059 -0.4520 -1.2232 O 0 0 0 0 0 14.8901 -2.0316 -0.9995 P 0 0 0 0 0 15.4649 -2.8372 -2.2689 O 0 0 0 0 0 15.6079 -2.4598 0.2223 O 0 0 0 0 0 13.3183 -2.3413 -0.8340 O 0 0 0 0 0 12.4793 -3.5634 -0.2072 P 0 0 0 0 0 13.1299 -4.8434 -0.5643 O 0 0 0 0 0 12.4298 -3.4145 1.3952 O 0 0 0 0 0 10.9796 -3.5412 -0.7937 O 0 0 0 0 0 10.0177 -4.5590 -0.5100 C 0 0 0 0 0 9.2836 -4.2066 0.6640 O 0 0 0 0 0 8.5926 -2.9597 0.5664 C 0 0 0 0 0 7.8686 -2.6737 1.8841 C 0 0 0 0 0 9.0547 -4.6958 -1.6917 C 0 0 0 0 0 8.1247 -5.7488 -1.4312 O 0 0 0 0 0 8.2953 -3.3773 -1.8760 C 0 0 0 0 0 7.3428 -3.5178 -2.9317 O 0 0 0 0 0 7.5706 -3.0318 -0.5711 C 0 0 0 0 0 6.9010 -1.7323 -0.7127 N 0 0 0 0 0 5.5323 -1.8977 -1.2195 C 0 0 0 0 0 5.2563 -0.8470 -2.2964 C 0 0 0 0 0 0.5418 -3.4706 -0.8202 H 0 0 0 0 0 1.5327 -1.3650 0.7788 H 0 0 0 0 0 2.0752 -2.9072 1.4833 H 0 0 0 0 0 3.0741 -3.5495 -0.6941 H 0 0 0 0 0 2.5315 -2.0073 -1.3976 H 0 0 0 0 0 -2.1414 -3.2986 -0.6103 H 0 0 0 0 0 -1.5908 -4.8387 0.0923 H 0 0 0 0 0 -2.5877 -4.2005 2.2715 H 0 0 0 0 0 -3.1383 -2.6604 1.5689 H 0 0 0 0 0 -4.1241 -4.7710 -0.0293 H 0 0 0 0 0 -6.9016 -5.7410 1.7591 H 0 0 0 0 0 -5.8730 -5.0430 -0.8638 H 0 0 0 0 0 -7.0893 -2.8486 2.6822 H 0 0 0 0 0 -8.7380 -2.5826 2.0671 H 0 0 0 0 0 -8.3167 -4.1271 2.8451 H 0 0 0 0 0 -6.6246 -3.1891 -0.9692 H 0 0 0 0 0 -7.6533 -1.9899 -0.1502 H 0 0 0 0 0 -6.0442 -2.3772 0.5042 H 0 0 0 0 0 -8.4685 -4.8689 -0.8266 H 0 0 0 0 0 -9.2019 -5.2530 0.7494 H 0 0 0 0 0 -10.4344 -3.3956 -2.8271 H 0 0 0 0 0 -13.5527 -1.4639 -2.9659 H 0 0 0 0 0 -15.6679 0.0569 -1.1636 H 0 0 0 0 0 -15.7966 -0.5864 0.4912 H 0 0 0 0 0 -14.5450 1.4693 1.3049 H 0 0 0 0 0 -17.2668 1.5130 -0.0132 H 0 0 0 0 0 -18.9477 0.5001 4.4718 H 0 0 0 0 0 -19.6523 2.6372 2.2577 H 0 0 0 0 0 -17.0963 3.7415 -0.5923 H 0 0 0 0 0 -16.6542 5.2905 1.1721 H 0 0 0 0 0 -14.3458 4.0272 0.6370 H 0 0 0 0 0 -14.4287 8.8157 0.3159 H 0 0 0 0 0 -14.9678 3.2579 -3.0325 H 0 0 0 0 0 -14.5122 7.7136 -4.8448 H 0 0 0 0 0 -14.3577 9.2660 -4.2213 H 0 0 0 0 0 15.7247 2.2254 2.2609 H 0 0 0 0 0 16.2550 8.5629 3.4217 H 0 0 0 0 0 16.6548 9.6760 1.4051 H 0 0 0 0 0 16.7631 8.8143 -0.0334 H 0 0 0 0 0 15.7594 4.2766 -0.9172 H 0 0 0 0 0 18.2620 2.9641 0.2839 H 0 0 0 0 0 19.2436 4.4825 -1.2771 H 0 0 0 0 0 18.4159 1.5654 -1.5977 H 0 0 0 0 0 18.5407 3.4171 -3.1336 H 0 0 0 0 0 15.6209 1.8490 -2.3907 H 0 0 0 0 0 16.9530 -0.2768 -2.1321 H 0 0 0 0 0 16.9383 -0.0260 -0.3696 H 0 0 0 0 0 15.0400 -2.6064 -3.1067 H 0 0 0 0 0 12.0157 -2.5968 1.7021 H 0 0 0 0 0 10.5296 -5.5085 -0.3471 H 0 0 0 0 0 9.3074 -2.1622 0.3636 H 0 0 0 0 0 8.6000 -2.5740 2.6862 H 0 0 0 0 0 7.3004 -1.7476 1.7931 H 0 0 0 0 0 7.1897 -3.4953 2.1111 H 0 0 0 0 0 9.6173 -4.9214 -2.5975 H 0 0 0 0 0 8.5370 -6.6138 -1.2986 H 0 0 0 0 0 9.0002 -2.5831 -2.1239 H 0 0 0 0 0 7.7332 -3.7437 -3.7871 H 0 0 0 0 0 6.8319 -3.8009 -0.3494 H 0 0 0 0 0 6.9046 -1.2263 0.1607 H 0 0 0 0 0 5.4212 -2.8941 -1.6472 H 0 0 0 0 0 5.9640 -0.9713 -3.1158 H 0 0 0 0 0 4.2403 -0.9695 -2.6722 H 0 0 0 0 0 5.3665 0.1494 -1.8688 H 0 0 0 0 0 32 31 2 0 0 0 34 31 1 0 0 0 42 41 2 0 0 0 42 47 1 0 0 0 41 40 1 0 0 0 31 30 1 0 0 0 31 33 1 0 0 0 37 28 1 0 0 0 37 38 1 0 0 0 30 29 1 0 0 0 47 46 2 0 0 0 28 27 1 0 0 0 28 29 1 0 0 0 38 39 1 0 0 0 38 35 1 0 0 0 40 39 1 0 0 0 40 45 2 0 0 0 15 14 1 0 0 0 27 26 1 0 0 0 20 19 2 0 0 0 39 43 1 0 0 0 29 35 1 0 0 0 46 45 1 0 0 0 46 48 1 0 0 0 45 44 1 0 0 0 35 36 1 0 0 0 16 14 1 0 0 0 17 14 1 0 0 0 17 18 1 0 0 0 14 12 1 0 0 0 43 44 2 0 0 0 26 23 1 0 0 0 19 22 1 0 0 0 19 18 1 0 0 0 19 21 1 0 0 0 22 23 1 0 0 0 25 23 2 0 0 0 11 10 2 0 0 0 23 24 1 0 0 0 12 10 1 0 0 0 12 13 1 0 0 0 10 9 1 0 0 0 9 8 1 0 0 0 8 7 1 0 0 0 7 2 1 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 87 1 0 0 0 80 79 1 0 0 0 82 81 1 0 0 0 78 79 1 0 0 0 78 77 1 0 0 0 49 50 2 0 0 0 79 85 1 0 0 0 85 86 1 0 0 0 85 83 1 0 0 0 87 86 1 0 0 0 87 88 1 0 0 0 77 81 1 0 0 0 77 76 1 0 0 0 81 83 1 0 0 0 52 51 1 0 0 0 52 53 2 0 0 0 84 83 1 0 0 0 74 73 2 0 0 0 50 51 1 0 0 0 50 54 1 0 0 0 51 58 2 0 0 0 53 59 1 0 0 0 76 73 1 0 0 0 54 55 1 0 0 0 73 72 1 0 0 0 73 75 1 0 0 0 72 69 1 0 0 0 58 59 1 0 0 0 58 57 1 0 0 0 59 60 1 0 0 0 55 57 2 0 0 0 55 56 1 0 0 0 71 69 2 0 0 0 61 60 1 0 0 0 61 66 1 0 0 0 67 66 1 0 0 0 67 68 1 0 0 0 69 68 1 0 0 0 69 70 1 0 0 0 60 62 1 0 0 0 66 64 1 0 0 0 62 64 1 0 0 0 62 63 1 0 0 0 64 65 1 0 0 0 3 89 1 0 0 0 4 90 1 0 0 0 4 91 1 0 0 0 5 92 1 0 0 0 5 93 1 0 0 0 7 94 1 0 0 0 7 95 1 0 0 0 8 96 1 0 0 0 8 97 1 0 0 0 9 98 1 0 0 0 12 99 1 0 0 0 13100 1 0 0 0 15101 1 0 0 0 15102 1 0 0 0 15103 1 0 0 0 16104 1 0 0 0 16105 1 0 0 0 16106 1 0 0 0 17107 1 0 0 0 17108 1 0 0 0 21109 1 0 0 0 24110 1 0 0 0 27111 1 0 0 0 27112 1 0 0 0 28113 1 0 0 0 29114 1 0 0 0 33115 1 0 0 0 34116 1 0 0 0 35117 1 0 0 0 36118 1 0 0 0 38119 1 0 0 0 42120 1 0 0 0 43121 1 0 0 0 48122 1 0 0 0 48123 1 0 0 0 53124 1 0 0 0 54125 1 0 0 0 56126 1 0 0 0 56127 1 0 0 0 60128 1 0 0 0 62129 1 0 0 0 63130 1 0 0 0 64131 1 0 0 0 65132 1 0 0 0 66133 1 0 0 0 67134 1 0 0 0 67135 1 0 0 0 70136 1 0 0 0 75137 1 0 0 0 77138 1 0 0 0 79139 1 0 0 0 80140 1 0 0 0 80141 1 0 0 0 80142 1 0 0 0 81143 1 0 0 0 82144 1 0 0 0 83145 1 0 0 0 84146 1 0 0 0 85147 1 0 0 0 86148 1 0 0 0 87149 1 0 0 0 88150 1 0 0 0 88151 1 0 0 0 88152 1 0 0 0 M END $$$$