989 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 70 72 0 0 0 0 0 0 0 0999 V2000 5.3229 2.3192 -2.4558 O 0 0 0 0 0 4.6433 1.6798 -1.4868 C 0 0 0 0 0 3.4682 1.4210 -1.6397 O 0 0 0 0 0 5.3346 1.2891 -0.2237 C 0 0 0 0 0 6.5106 1.5480 -0.0708 O 0 0 0 0 0 4.6540 0.6489 0.7475 N 0 0 0 0 0 5.2989 0.2845 1.9249 C 0 0 0 0 0 5.1885 1.0817 3.0573 C 0 0 0 0 0 5.8281 0.7180 4.2247 C 0 0 0 0 0 6.5854 -0.4398 4.2774 C 0 0 0 0 0 6.7076 -1.2433 3.1647 C 0 0 0 0 0 6.0603 -0.8922 1.9776 C 0 0 0 0 0 6.1869 -1.7474 0.7838 C 0 0 0 0 0 5.7158 -1.3839 -0.2753 O 0 0 0 0 0 6.8241 -2.9314 0.8671 O 0 0 0 0 0 3.3024 0.3515 0.5720 C 0 0 0 0 0 2.9169 -0.8896 0.1126 C 0 0 0 0 0 1.5718 -1.1960 -0.0671 C 0 0 0 0 0 0.6013 -0.2829 0.2060 C 0 0 0 0 0 0.9516 0.9960 0.6710 C 0 0 0 0 0 2.3160 1.3189 0.8617 C 0 0 0 0 0 2.6635 2.5950 1.3309 C 0 0 0 0 0 1.6862 3.5033 1.6007 C 0 0 0 0 0 0.3427 3.1856 1.4182 C 0 0 0 0 0 -0.0315 1.9578 0.9642 C 0 0 0 0 0 -0.8486 -0.6395 0.0031 C 0 0 0 0 0 -1.4107 -1.2419 1.2913 C 0 0 0 0 0 -0.6536 -2.4471 1.6378 N 0 0 0 0 0 -0.6162 -3.4885 0.7830 C 0 0 0 0 0 -1.2086 -3.4263 -0.2734 O 0 0 0 0 0 0.1622 -4.7286 1.1389 C 0 0 0 0 0 -2.8604 -1.5994 1.0894 C 0 0 0 0 0 -3.1619 -2.7018 0.6834 O 0 0 0 0 0 -3.8226 -0.6943 1.3583 N 0 0 0 0 0 -5.2317 -1.0428 1.1609 C 0 0 0 0 0 -6.1096 0.1521 1.5384 C 0 0 0 0 0 -7.5811 -0.2113 1.3324 C 0 0 0 0 0 -8.4591 0.9836 1.7100 C 0 0 0 0 0 -9.9306 0.6203 1.5040 C 0 0 0 0 0 4.8743 2.5726 -3.2741 H 0 0 0 0 0 4.5999 1.9870 3.0242 H 0 0 0 0 0 5.7388 1.3414 5.1018 H 0 0 0 0 0 7.0824 -0.7148 5.1960 H 0 0 0 0 0 7.3003 -2.1459 3.2115 H 0 0 0 0 0 6.9066 -3.4919 0.0840 H 0 0 0 0 0 3.6689 -1.6327 -0.1113 H 0 0 0 0 0 1.2940 -2.1753 -0.4283 H 0 0 0 0 0 3.7021 2.8549 1.4776 H 0 0 0 0 0 1.9559 4.4841 1.9618 H 0 0 0 0 0 -0.4141 3.9241 1.6396 H 0 0 0 0 0 -1.0765 1.7249 0.8278 H 0 0 0 0 0 -0.9341 -1.3662 -0.8052 H 0 0 0 0 0 -1.4121 0.2565 -0.2547 H 0 0 0 0 0 -1.3252 -0.5143 2.0985 H 0 0 0 0 0 -0.1805 -2.4967 2.4823 H 0 0 0 0 0 0.0767 -5.4552 0.3316 H 0 0 0 0 0 1.2109 -4.4691 1.2855 H 0 0 0 0 0 -0.2384 -5.1577 2.0573 H 0 0 0 0 0 -3.5807 0.1863 1.6832 H 0 0 0 0 0 -5.4868 -1.8944 1.7916 H 0 0 0 0 0 -5.3990 -1.3008 0.1166 H 0 0 0 0 0 -5.8535 1.0038 0.9077 H 0 0 0 0 0 -5.9413 0.4103 2.5837 H 0 0 0 0 0 -7.8373 -1.0620 1.9620 H 0 0 0 0 0 -7.7485 -0.4694 0.2872 H 0 0 0 0 0 -8.2030 1.8353 1.0793 H 0 0 0 0 0 -8.2917 1.2418 2.7552 H 0 0 0 0 0 -10.5559 1.4715 1.7718 H 0 0 0 0 0 -10.0989 0.3621 0.4587 H 0 0 0 0 0 -10.1867 -0.2315 2.1337 H 0 0 0 0 0 1 2 1 0 0 0 1 40 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 4 5 2 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 6 16 1 0 0 0 7 8 2 0 0 0 7 12 1 0 0 0 8 9 1 0 0 0 8 41 1 0 0 0 9 10 2 0 0 0 9 42 1 0 0 0 10 11 1 0 0 0 10 43 1 0 0 0 11 12 2 0 0 0 11 44 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 15 45 1 0 0 0 16 17 2 0 0 0 16 21 1 0 0 0 17 18 1 0 0 0 17 46 1 0 0 0 18 19 2 0 0 0 18 47 1 0 0 0 19 20 1 0 0 0 19 26 1 0 0 0 20 21 2 0 0 0 20 25 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 22 48 1 0 0 0 23 24 1 0 0 0 23 49 1 0 0 0 24 25 2 0 0 0 24 50 1 0 0 0 25 51 1 0 0 0 26 27 1 0 0 0 26 52 1 0 0 0 26 53 1 0 0 0 27 28 1 0 0 0 27 32 1 0 0 0 27 54 1 0 0 0 28 29 1 0 0 0 28 55 1 0 0 0 29 30 2 0 0 0 29 31 1 0 0 0 31 56 1 0 0 0 31 57 1 0 0 0 31 58 1 0 0 0 32 33 2 0 0 0 32 34 1 0 0 0 34 35 1 0 0 0 34 59 1 0 0 0 35 36 1 0 0 0 35 60 1 0 0 0 35 61 1 0 0 0 36 37 1 0 0 0 36 62 1 0 0 0 36 63 1 0 0 0 37 38 1 0 0 0 37 64 1 0 0 0 37 65 1 0 0 0 38 39 1 0 0 0 38 66 1 0 0 0 38 67 1 0 0 0 39 68 1 0 0 0 39 69 1 0 0 0 39 70 1 0 0 0 M END $$$$