90D Converted by convert_cif2sdf.py 2024/03/29 11:09:15 80 82 0 0 0 0 0 0 0 0999 V2000 -2.4972 4.6144 -0.2053 C 0 0 0 0 0 -2.1928 3.3167 0.5469 C 0 0 0 0 0 -0.7028 3.0957 0.5834 C 0 0 0 0 0 0.0457 3.6051 1.6281 C 0 0 0 0 0 1.4141 3.4064 1.6684 C 0 0 0 0 0 2.0400 2.6959 0.6634 C 0 0 0 0 0 1.2906 2.1794 -0.3921 C 0 0 0 0 0 -0.0879 2.3788 -0.4244 C 0 0 0 0 0 1.9580 1.4155 -1.4746 C 0 0 0 0 0 2.1989 2.0174 -2.7103 C 0 0 0 0 0 1.8242 3.2969 -2.9248 F 0 0 0 0 0 2.8207 1.2990 -3.7148 C 0 0 0 0 0 3.2049 -0.0112 -3.4946 C 0 0 0 0 0 2.9671 -0.6114 -2.2715 C 0 0 0 0 0 2.3520 0.0972 -1.2591 C 0 0 0 0 0 2.1006 -0.5579 0.0745 C 0 0 0 0 0 1.9870 0.4465 1.0843 O 0 0 0 0 0 3.2640 -1.4917 0.4123 C 0 0 0 0 0 4.5625 -0.6846 0.4764 C 0 0 0 0 0 5.7269 -1.6184 0.8141 C 0 0 0 0 0 6.9707 -0.8463 0.8753 N 0 0 0 0 0 8.1342 -1.4635 1.1596 C 0 0 0 0 0 8.1524 -2.6617 1.3647 O 0 0 0 0 0 9.2769 -0.7533 1.2166 O 0 0 0 0 0 10.4922 -1.4846 1.5269 C 0 0 0 0 0 0.8022 -1.3650 0.0104 C 0 0 0 0 0 0.9458 -2.4834 -1.0243 C 0 0 0 0 0 -0.3401 -3.3111 -1.0664 C 0 0 0 0 0 -1.5077 -2.4123 -1.4852 C 0 0 0 0 0 -1.5630 -1.2561 -0.5800 N 0 0 0 0 0 -0.3531 -0.4439 -0.3961 C 0 0 0 0 0 -2.7032 -0.9461 0.0684 C 0 0 0 0 0 -2.7362 0.0109 0.8136 O 0 0 0 0 0 -3.9365 -1.7890 -0.1303 C 0 0 0 0 0 -5.0804 -1.2256 0.7151 C 0 0 0 0 0 -6.3329 -2.0809 0.5134 C 0 0 0 0 0 -7.4309 -1.5399 1.3244 N 0 0 0 0 0 -8.6526 -2.3379 1.1561 C 0 0 0 0 0 -2.1157 4.5424 -1.2240 H 0 0 0 0 0 -3.5753 4.7745 -0.2319 H 0 0 0 0 0 -2.0189 5.4507 0.3038 H 0 0 0 0 0 -2.5744 3.3887 1.5655 H 0 0 0 0 0 -2.6721 2.4804 0.0378 H 0 0 0 0 0 -0.4408 4.1618 2.4163 H 0 0 0 0 0 1.9928 3.8069 2.4864 H 0 0 0 0 0 3.1083 2.5412 0.6961 H 0 0 0 0 0 -0.6737 1.9774 -1.2372 H 0 0 0 0 0 3.0086 1.7623 -4.6723 H 0 0 0 0 0 3.6904 -0.5687 -4.2817 H 0 0 0 0 0 3.2687 -1.6352 -2.1065 H 0 0 0 0 0 1.8247 0.0971 1.9715 H 0 0 0 0 0 3.0830 -1.9650 1.3767 H 0 0 0 0 0 3.3506 -2.2581 -0.3582 H 0 0 0 0 0 4.7445 -0.2113 -0.4881 H 0 0 0 0 0 4.4770 0.0818 1.2468 H 0 0 0 0 0 5.5449 -2.0916 1.7785 H 0 0 0 0 0 5.8135 -2.3848 0.0436 H 0 0 0 0 0 6.9559 0.1104 0.7120 H 0 0 0 0 0 10.3921 -1.9571 2.5046 H 0 0 0 0 0 10.6596 -2.2502 0.7697 H 0 0 0 0 0 11.3367 -0.7958 1.5412 H 0 0 0 0 0 0.5938 -1.7987 0.9890 H 0 0 0 0 0 1.1293 -2.0478 -2.0063 H 0 0 0 0 0 1.7828 -3.1255 -0.7494 H 0 0 0 0 0 -0.2287 -4.1217 -1.7861 H 0 0 0 0 0 -0.5382 -3.7269 -0.0778 H 0 0 0 0 0 -1.3547 -2.0681 -2.5086 H 0 0 0 0 0 -2.4413 -2.9715 -1.4216 H 0 0 0 0 0 -0.5242 0.2958 0.3861 H 0 0 0 0 0 -0.1056 0.0610 -1.3306 H 0 0 0 0 0 -4.2204 -1.7740 -1.1825 H 0 0 0 0 0 -3.7288 -2.8137 0.1769 H 0 0 0 0 0 -4.7965 -1.2396 1.7671 H 0 0 0 0 0 -5.2881 -0.1997 0.4087 H 0 0 0 0 0 -6.6167 -2.0669 -0.5386 H 0 0 0 0 0 -6.1251 -3.1058 0.8197 H 0 0 0 0 0 -7.6002 -0.5703 1.1045 H 0 0 0 0 0 -9.4506 -1.9160 1.7678 H 0 0 0 0 0 -8.9535 -2.3259 0.1085 H 0 0 0 0 0 -8.4619 -3.3648 1.4667 H 0 0 0 0 0 38 37 1 0 0 0 37 36 1 0 0 0 36 35 1 0 0 0 35 34 1 0 0 0 34 32 1 0 0 0 1 2 1 0 0 0 32 33 2 0 0 0 32 30 1 0 0 0 2 3 1 0 0 0 29 30 1 0 0 0 29 28 1 0 0 0 30 31 1 0 0 0 28 27 1 0 0 0 3 4 2 0 0 0 3 8 1 0 0 0 31 26 1 0 0 0 4 5 1 0 0 0 8 7 2 0 0 0 27 26 1 0 0 0 26 16 1 0 0 0 5 6 2 0 0 0 7 6 1 0 0 0 7 9 1 0 0 0 16 18 1 0 0 0 16 17 1 0 0 0 16 15 1 0 0 0 18 19 1 0 0 0 9 15 2 0 0 0 9 10 1 0 0 0 15 14 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 20 19 1 0 0 0 20 21 1 0 0 0 14 13 2 0 0 0 12 13 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 1 39 1 0 0 0 1 40 1 0 0 0 1 41 1 0 0 0 2 42 1 0 0 0 2 43 1 0 0 0 4 44 1 0 0 0 5 45 1 0 0 0 6 46 1 0 0 0 8 47 1 0 0 0 12 48 1 0 0 0 13 49 1 0 0 0 14 50 1 0 0 0 17 51 1 0 0 0 18 52 1 0 0 0 18 53 1 0 0 0 19 54 1 0 0 0 19 55 1 0 0 0 20 56 1 0 0 0 20 57 1 0 0 0 21 58 1 0 0 0 25 59 1 0 0 0 25 60 1 0 0 0 25 61 1 0 0 0 26 62 1 0 0 0 27 63 1 0 0 0 27 64 1 0 0 0 28 65 1 0 0 0 28 66 1 0 0 0 29 67 1 0 0 0 29 68 1 0 0 0 31 69 1 0 0 0 31 70 1 0 0 0 34 71 1 0 0 0 34 72 1 0 0 0 35 73 1 0 0 0 35 74 1 0 0 0 36 75 1 0 0 0 36 76 1 0 0 0 37 77 1 0 0 0 38 78 1 0 0 0 38 79 1 0 0 0 38 80 1 0 0 0 M END $$$$