F2S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 89 94 0 0 0 0 0 0 0 0999 V2000 1.0663 -2.2483 0.8801 C 0 0 0 0 0 0.5075 -3.0916 -0.0868 C 0 0 0 0 0 -0.7526 -2.8252 -0.5844 C 0 0 0 0 0 -1.4661 -1.7179 -0.1229 C 0 0 0 0 0 -0.9097 -0.8804 0.8370 C 0 0 0 0 0 0.3446 -1.1445 1.3416 C 0 0 0 0 0 -8.0062 2.4119 3.1021 O 0 0 0 0 0 -7.2561 2.0143 2.2321 C 0 0 0 0 0 -6.4465 1.0125 2.5434 N 0 0 0 0 0 -6.5604 0.4737 3.9010 C 0 0 0 0 0 -5.4972 0.4194 1.7119 C 0 0 0 0 0 -4.2634 0.0453 2.2270 C 0 0 0 0 0 -3.3872 -0.5537 1.4322 N 0 0 0 0 0 -7.3322 2.6842 0.9285 C 0 0 0 0 0 -7.5243 4.0684 0.8693 C 0 0 0 0 0 -7.6289 4.6985 -0.3513 C 0 0 0 0 0 -7.5501 3.9689 -1.5264 C 0 0 0 0 0 -7.3482 2.6033 -1.4851 C 0 0 0 0 0 -7.2216 1.9559 -0.2639 C 0 0 0 0 0 -6.9322 0.5951 -0.2275 N 0 0 0 0 0 -7.8611 -0.3789 -0.8063 C 0 0 0 0 0 -5.7532 0.1777 0.3619 C 0 0 0 0 0 -4.8347 -0.4463 -0.3685 N 0 0 0 0 0 -3.6747 -0.8021 0.1645 C 0 0 0 0 0 -2.7382 -1.4498 -0.6272 N 0 0 0 0 0 2.9636 -0.1588 1.1521 C 0 0 0 0 0 4.0864 0.3482 0.2404 C 0 0 0 0 0 4.5934 -1.7671 2.2243 C 0 0 0 0 0 5.6971 -1.2428 1.3009 C 0 0 0 0 0 5.4249 0.2270 0.9711 C 0 0 0 0 0 -6.8004 -0.2073 -3.0617 C 0 0 0 0 0 -7.1545 -1.1592 -1.9174 C 0 0 0 0 0 -1.2985 -3.6424 -1.5242 O 0 0 0 0 0 -0.5119 -4.7573 -1.9516 C 0 0 0 0 0 2.4122 -2.5290 1.4156 C 0 0 0 0 0 2.7284 -3.6686 1.6982 O 0 0 0 0 0 3.2904 -1.5224 1.5911 N 0 0 0 0 0 6.4998 0.7426 0.1130 N 0 0 0 0 0 7.8135 0.5614 0.7465 C 0 0 0 0 0 8.9090 1.0373 -0.2111 C 0 0 0 0 0 8.6803 2.4485 -0.5488 N 0 0 0 0 0 7.3676 2.6307 -1.1824 C 0 0 0 0 0 6.2722 2.1548 -0.2257 C 0 0 0 0 0 9.7552 2.9651 -1.4069 C 0 0 0 0 0 -8.3252 -1.3490 0.2821 C 0 0 0 0 0 1.0598 -3.9476 -0.4428 H 0 0 0 0 0 -1.4640 -0.0243 1.1920 H 0 0 0 0 0 0.7732 -0.4955 2.0906 H 0 0 0 0 0 -7.3314 1.0190 4.4452 H 0 0 0 0 0 -6.8289 -0.5819 3.8515 H 0 0 0 0 0 -5.6064 0.5821 4.4164 H 0 0 0 0 0 -4.0208 0.2397 3.2608 H 0 0 0 0 0 -7.5891 4.6435 1.7810 H 0 0 0 0 0 -7.7752 5.7683 -0.3923 H 0 0 0 0 0 -7.6473 4.4706 -2.4779 H 0 0 0 0 0 -7.2888 2.0395 -2.4037 H 0 0 0 0 0 -8.7234 0.1428 -1.2203 H 0 0 0 0 0 -2.9675 -1.7159 -1.5307 H 0 0 0 0 0 2.8759 0.4940 2.0207 H 0 0 0 0 0 2.0222 -0.1676 0.6022 H 0 0 0 0 0 4.1128 -0.2506 -0.6701 H 0 0 0 0 0 3.9040 1.3915 -0.0154 H 0 0 0 0 0 4.7270 -2.8370 2.3824 H 0 0 0 0 0 4.6399 -1.2480 3.1815 H 0 0 0 0 0 6.6622 -1.3304 1.8009 H 0 0 0 0 0 5.7092 -1.8258 0.3807 H 0 0 0 0 0 5.3885 0.8054 1.8946 H 0 0 0 0 0 -6.1396 0.5766 -2.6924 H 0 0 0 0 0 -6.2972 -0.7631 -3.8531 H 0 0 0 0 0 -7.7119 0.2411 -3.4568 H 0 0 0 0 0 -6.2430 -1.6085 -1.5224 H 0 0 0 0 0 -7.8153 -1.9431 -2.2868 H 0 0 0 0 0 0.4232 -4.3984 -2.3822 H 0 0 0 0 0 -0.2959 -5.3977 -1.0963 H 0 0 0 0 0 -1.0630 -5.3249 -2.7006 H 0 0 0 0 0 7.8564 1.1431 1.6672 H 0 0 0 0 0 7.9639 -0.4938 0.9756 H 0 0 0 0 0 9.8818 0.9304 0.2687 H 0 0 0 0 0 8.8831 0.4365 -1.1201 H 0 0 0 0 0 7.2172 3.6850 -1.4124 H 0 0 0 0 0 7.3237 2.0481 -2.1030 H 0 0 0 0 0 5.2984 2.2617 -0.7045 H 0 0 0 0 0 6.2980 2.7546 0.6843 H 0 0 0 0 0 9.7926 2.3857 -2.3304 H 0 0 0 0 0 9.5622 4.0109 -1.6426 H 0 0 0 0 0 10.7087 2.8792 -0.8868 H 0 0 0 0 0 -8.8284 -0.7942 1.0735 H 0 0 0 0 0 -9.0163 -2.0746 -0.1485 H 0 0 0 0 0 -7.4629 -1.8707 0.6961 H 0 0 0 0 0 34 33 1 0 0 0 33 3 1 0 0 0 3 2 2 0 0 0 3 4 1 0 0 0 13 12 2 0 0 0 13 24 1 0 0 0 25 4 1 0 0 0 25 24 1 0 0 0 2 1 1 0 0 0 12 11 1 0 0 0 4 5 2 0 0 0 24 23 2 0 0 0 29 30 1 0 0 0 29 28 1 0 0 0 39 40 1 0 0 0 39 38 1 0 0 0 30 38 1 0 0 0 30 27 1 0 0 0 1 35 1 0 0 0 1 6 2 0 0 0 10 9 1 0 0 0 11 9 1 0 0 0 11 22 2 0 0 0 5 6 1 0 0 0 26 37 1 0 0 0 26 27 1 0 0 0 35 37 1 0 0 0 35 36 2 0 0 0 37 28 1 0 0 0 23 22 1 0 0 0 40 41 1 0 0 0 38 43 1 0 0 0 9 8 1 0 0 0 43 42 1 0 0 0 41 42 1 0 0 0 41 44 1 0 0 0 22 20 1 0 0 0 8 7 2 0 0 0 8 14 1 0 0 0 20 19 1 0 0 0 20 21 1 0 0 0 14 19 2 0 0 0 14 15 1 0 0 0 19 18 1 0 0 0 15 16 2 0 0 0 21 45 1 0 0 0 21 32 1 0 0 0 18 17 2 0 0 0 16 17 1 0 0 0 32 31 1 0 0 0 2 46 1 0 0 0 5 47 1 0 0 0 6 48 1 0 0 0 10 49 1 0 0 0 10 50 1 0 0 0 10 51 1 0 0 0 12 52 1 0 0 0 15 53 1 0 0 0 16 54 1 0 0 0 17 55 1 0 0 0 18 56 1 0 0 0 21 57 1 0 0 0 25 58 1 0 0 0 26 59 1 0 0 0 26 60 1 0 0 0 27 61 1 0 0 0 27 62 1 0 0 0 28 63 1 0 0 0 28 64 1 0 0 0 29 65 1 0 0 0 29 66 1 0 0 0 30 67 1 0 0 0 31 68 1 0 0 0 31 69 1 0 0 0 31 70 1 0 0 0 32 71 1 0 0 0 32 72 1 0 0 0 34 73 1 0 0 0 34 74 1 0 0 0 34 75 1 0 0 0 39 76 1 0 0 0 39 77 1 0 0 0 40 78 1 0 0 0 40 79 1 0 0 0 42 80 1 0 0 0 42 81 1 0 0 0 43 82 1 0 0 0 43 83 1 0 0 0 44 84 1 0 0 0 44 85 1 0 0 0 44 86 1 0 0 0 45 87 1 0 0 0 45 88 1 0 0 0 45 89 1 0 0 0 M END $$$$