CIQ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 84 88 0 0 0 0 0 0 0 0999 V2000 1.7806 -1.0138 0.4152 N 0 0 0 0 0 0.8219 -1.9233 0.3593 C 0 0 0 0 0 -0.4533 -1.6174 0.3498 N 0 0 0 0 0 -0.8453 -0.3341 0.3969 C 0 0 0 0 0 0.1447 0.6777 0.4574 C 0 0 0 0 0 1.5039 0.2827 0.4651 C 0 0 0 0 0 -0.8799 4.6298 0.6051 C 0 0 0 0 0 8.4862 0.8019 -1.8064 C 0 0 0 0 0 8.8790 2.1543 0.2570 C 0 0 0 0 0 -2.1983 0.0266 0.3870 C 0 0 0 0 0 -0.2358 2.0246 0.5070 C 0 0 0 0 0 0.4812 -6.2114 0.1714 C 0 0 0 0 0 1.0678 -5.4804 -1.0377 C 0 0 0 0 0 1.0237 -5.5869 1.4578 C 0 0 0 0 0 -10.9228 0.2543 -0.0639 C 0 0 0 0 0 -10.4149 1.0811 -1.2672 C 0 0 0 0 0 -6.2272 1.2372 0.3660 C 0 0 0 0 0 -4.8146 0.6500 0.3673 C 0 0 0 0 0 0.6703 -4.0041 -0.9824 C 0 0 0 0 0 0.6263 -4.1095 1.5141 C 0 0 0 0 0 4.7749 1.8642 1.2028 C 0 0 0 0 0 4.3948 0.5888 -0.9092 C 0 0 0 0 0 -9.6271 -0.4005 0.4783 C 0 0 0 0 0 -8.9155 1.3045 -0.9981 C 0 0 0 0 0 -7.2512 0.1022 0.3007 C 0 0 0 0 0 6.2442 1.4371 1.1530 C 0 0 0 0 0 5.8741 0.1991 -0.8978 C 0 0 0 0 0 2.5133 1.2211 0.5232 N 0 0 0 0 0 -1.9289 3.6614 0.5450 O 0 0 0 0 0 -3.8584 1.7106 0.4282 O 0 0 0 0 0 -1.5605 2.3537 0.4968 C 0 0 0 0 0 -2.5462 1.3578 0.4373 C 0 0 0 0 0 8.0957 0.9820 -0.3381 C 0 0 0 0 0 3.9136 0.7912 0.5305 C 0 0 0 0 0 1.2129 -3.3785 0.3050 C 0 0 0 0 0 -8.6075 0.6651 0.3001 N 0 0 0 0 0 6.6560 1.2571 -0.2453 N 0 0 0 0 0 -1.3095 5.6310 0.6386 H 0 0 0 0 0 -0.2800 4.4612 1.4994 H 0 0 0 0 0 -0.2475 4.5355 -0.2783 H 0 0 0 0 0 8.2537 1.7120 -2.3591 H 0 0 0 0 0 9.5545 0.5973 -1.8757 H 0 0 0 0 0 7.9283 -0.0337 -2.2311 H 0 0 0 0 0 8.6466 3.0644 -0.2957 H 0 0 0 0 0 8.6000 2.2824 1.3026 H 0 0 0 0 0 9.9473 1.9497 0.1877 H 0 0 0 0 0 -2.9634 -0.7344 0.3414 H 0 0 0 0 0 0.5156 2.7990 0.5537 H 0 0 0 0 0 -0.6052 -6.1269 0.1560 H 0 0 0 0 0 0.7636 -7.2641 0.1320 H 0 0 0 0 0 2.1542 -5.5649 -1.0223 H 0 0 0 0 0 0.6816 -5.9259 -1.9545 H 0 0 0 0 0 0.6060 -6.1076 2.3197 H 0 0 0 0 0 2.1101 -5.6714 1.4732 H 0 0 0 0 0 -11.3705 0.9033 0.6884 H 0 0 0 0 0 -11.6317 -0.5064 -0.3897 H 0 0 0 0 0 -10.5537 0.5249 -2.1943 H 0 0 0 0 0 -10.9369 2.0369 -1.3168 H 0 0 0 0 0 -6.3811 1.8133 1.2780 H 0 0 0 0 0 -6.3497 1.8876 -0.4996 H 0 0 0 0 0 -4.6911 -0.0004 1.2329 H 0 0 0 0 0 -4.6597 0.0739 -0.5458 H 0 0 0 0 0 1.0881 -3.4823 -1.8433 H 0 0 0 0 0 -0.4160 -3.9186 -0.9978 H 0 0 0 0 0 -0.4601 -4.0250 1.4977 H 0 0 0 0 0 1.0125 -3.6641 2.4309 H 0 0 0 0 0 4.4657 1.9821 2.2404 H 0 0 0 0 0 4.6534 2.8106 0.6761 H 0 0 0 0 0 4.2667 1.5156 -1.4690 H 0 0 0 0 0 3.8127 -0.2039 -1.3795 H 0 0 0 0 0 -9.7359 -0.6556 1.5321 H 0 0 0 0 0 -9.3673 -1.2822 -0.1069 H 0 0 0 0 0 -8.3234 0.8434 -1.7886 H 0 0 0 0 0 -8.7023 2.3725 -0.9460 H 0 0 0 0 0 -7.0964 -0.4749 -0.6123 H 0 0 0 0 0 -7.1278 -0.5492 1.1663 H 0 0 0 0 0 6.8617 2.2050 1.6180 H 0 0 0 0 0 6.3669 0.4976 1.6908 H 0 0 0 0 0 5.9990 -0.7345 -0.3490 H 0 0 0 0 0 6.2231 0.0682 -1.9216 H 0 0 0 0 0 2.2964 2.1662 0.5597 H 0 0 0 0 0 8.3281 0.0718 0.2135 H 0 0 0 0 0 4.0044 -0.1456 1.0804 H 0 0 0 0 0 2.2993 -3.4630 0.3204 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 2 35 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 11 1 0 0 0 6 28 1 0 0 0 7 29 1 0 0 0 8 33 1 0 0 0 9 33 1 0 0 0 10 32 2 0 0 0 11 31 2 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 19 1 0 0 0 14 20 1 0 0 0 15 16 1 0 0 0 15 23 1 0 0 0 16 24 1 0 0 0 17 18 1 0 0 0 17 25 1 0 0 0 18 30 1 0 0 0 19 35 1 0 0 0 20 35 1 0 0 0 21 26 1 0 0 0 21 34 1 0 0 0 22 27 1 0 0 0 22 34 1 0 0 0 23 36 1 0 0 0 24 36 1 0 0 0 25 36 1 0 0 0 26 37 1 0 0 0 27 37 1 0 0 0 28 34 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 32 1 0 0 0 33 37 1 0 0 0 7 38 1 0 0 0 7 39 1 0 0 0 7 40 1 0 0 0 8 41 1 0 0 0 8 42 1 0 0 0 8 43 1 0 0 0 9 44 1 0 0 0 9 45 1 0 0 0 9 46 1 0 0 0 10 47 1 0 0 0 11 48 1 0 0 0 12 49 1 0 0 0 12 50 1 0 0 0 13 51 1 0 0 0 13 52 1 0 0 0 14 53 1 0 0 0 14 54 1 0 0 0 15 55 1 0 0 0 15 56 1 0 0 0 16 57 1 0 0 0 16 58 1 0 0 0 17 59 1 0 0 0 17 60 1 0 0 0 18 61 1 0 0 0 18 62 1 0 0 0 19 63 1 0 0 0 19 64 1 0 0 0 20 65 1 0 0 0 20 66 1 0 0 0 21 67 1 0 0 0 21 68 1 0 0 0 22 69 1 0 0 0 22 70 1 0 0 0 23 71 1 0 0 0 23 72 1 0 0 0 24 73 1 0 0 0 24 74 1 0 0 0 25 75 1 0 0 0 25 76 1 0 0 0 26 77 1 0 0 0 26 78 1 0 0 0 27 79 1 0 0 0 27 80 1 0 0 0 28 81 1 0 0 0 33 82 1 0 0 0 34 83 1 0 0 0 35 84 1 0 0 0 M END $$$$