2U1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 80 84 0 0 0 0 0 0 0 0999 V2000 1.8250 2.8746 1.1930 C 0 0 0 0 0 2.3538 3.5977 2.2477 C 0 0 0 0 0 2.4871 5.3255 2.1358 CL 0 0 0 0 0 2.7767 2.9437 3.3908 C 0 0 0 0 0 2.6707 1.5688 3.4786 C 0 0 0 0 0 2.1422 0.8464 2.4260 C 0 0 0 0 0 1.7190 1.4995 1.2827 C 0 0 0 0 0 1.1419 0.7119 0.1341 C 0 0 0 0 0 1.8127 -0.5496 0.0326 O 0 0 0 0 0 1.4522 -1.2802 -1.1423 C 0 0 0 0 0 2.0046 -2.7034 -1.0460 C 0 0 0 0 0 3.4972 -2.6510 -0.8469 C 0 0 0 0 0 4.0551 -3.2378 0.2746 C 0 0 0 0 0 5.4265 -3.1870 0.4542 C 0 0 0 0 0 6.1994 -2.5379 -0.5158 C 0 0 0 0 0 7.6674 -2.4545 -0.3756 C 0 0 0 0 0 8.2138 -2.9524 0.5894 O 0 0 0 0 0 8.4000 -1.8271 -1.3154 O 0 0 0 0 0 5.5598 -1.9705 -1.6193 C 0 0 0 0 0 4.2512 -2.0497 -1.7474 N 0 0 0 0 0 2.0426 -0.5874 -2.3727 C 0 0 0 0 0 -0.0452 -1.3321 -1.2709 C 0 0 0 0 0 -0.5391 -2.1417 -2.0275 O 0 0 0 0 0 -0.8514 -0.5179 -0.5796 N 0 0 0 0 0 -2.2975 -0.6098 -0.7952 C 0 0 0 0 0 -2.6135 -0.3130 -2.2631 C 0 0 0 0 0 -4.0813 -0.3567 -2.6927 C 0 0 0 0 0 -3.3568 0.9866 -2.5769 C 0 0 0 0 0 -2.7775 -2.0195 -0.4453 C 0 0 0 0 0 -2.5383 -2.3167 1.3281 S 0 0 0 0 0 -1.1438 -2.3158 1.6026 O 0 0 0 0 0 -3.3891 -1.4399 2.0528 O 0 0 0 0 0 -3.1623 -4.0104 1.5119 C 0 0 0 0 0 -4.6317 -4.0616 1.0875 C 0 0 0 0 0 -2.3429 -4.9543 0.6286 C 0 0 0 0 0 -3.0378 -4.4441 2.9733 C 0 0 0 0 0 -0.3457 0.4577 0.3828 C 0 0 0 0 0 -1.1074 1.7492 0.2322 C 0 0 0 0 0 -1.4456 2.2094 -1.0266 C 0 0 0 0 0 -2.1489 3.3917 -1.1648 C 0 0 0 0 0 -2.5137 4.1146 -0.0433 C 0 0 0 0 0 -3.3970 5.5982 -0.2169 CL 0 0 0 0 0 -2.1746 3.6539 1.2164 C 0 0 0 0 0 -1.4713 2.4717 1.3537 C 0 0 0 0 0 1.4906 3.3852 0.3021 H 0 0 0 0 0 3.1903 3.5073 4.2133 H 0 0 0 0 0 3.0006 1.0575 4.3713 H 0 0 0 0 0 2.0589 -0.2275 2.4954 H 0 0 0 0 0 1.2706 1.2700 -0.7929 H 0 0 0 0 0 1.5433 -3.2160 -0.2014 H 0 0 0 0 0 1.7795 -3.2431 -1.9655 H 0 0 0 0 0 3.4272 -3.7298 1.0023 H 0 0 0 0 0 5.8881 -3.6367 1.3215 H 0 0 0 0 0 9.3579 -1.7984 -1.1797 H 0 0 0 0 0 6.1422 -1.4660 -2.3751 H 0 0 0 0 0 3.1084 -0.4202 -2.2180 H 0 0 0 0 0 1.8969 -1.2182 -3.2492 H 0 0 0 0 0 1.5428 0.3685 -2.5256 H 0 0 0 0 0 -2.8067 0.1156 -0.1603 H 0 0 0 0 0 -1.8677 -0.6527 -2.9826 H 0 0 0 0 0 -4.3020 -0.7250 -3.6940 H 0 0 0 0 0 -4.8222 -0.5973 -1.9293 H 0 0 0 0 0 -3.6219 1.6301 -1.7380 H 0 0 0 0 0 -3.1021 1.5015 -3.5028 H 0 0 0 0 0 -3.8353 -2.1148 -0.6898 H 0 0 0 0 0 -2.2050 -2.7503 -1.0168 H 0 0 0 0 0 -4.7198 -3.7529 0.0453 H 0 0 0 0 0 -5.0059 -5.0795 1.1981 H 0 0 0 0 0 -5.2147 -3.3891 1.7162 H 0 0 0 0 0 -1.2968 -4.9180 0.9313 H 0 0 0 0 0 -2.7180 -5.9718 0.7393 H 0 0 0 0 0 -2.4319 -4.6453 -0.4135 H 0 0 0 0 0 -3.6208 -3.7717 3.6030 H 0 0 0 0 0 -3.4129 -5.4616 3.0840 H 0 0 0 0 0 -1.9913 -4.4069 3.2761 H 0 0 0 0 0 -0.4829 0.0746 1.3935 H 0 0 0 0 0 -1.1604 1.6447 -1.9019 H 0 0 0 0 0 -2.4126 3.7509 -2.1491 H 0 0 0 0 0 -2.4592 4.2173 2.0916 H 0 0 0 0 0 -1.2109 2.1096 2.3366 H 0 0 0 0 0 27 28 1 0 0 0 27 26 1 0 0 0 42 41 1 0 0 0 28 26 1 0 0 0 40 41 2 0 0 0 40 39 1 0 0 0 26 25 1 0 0 0 41 43 1 0 0 0 39 38 2 0 0 0 43 44 2 0 0 0 25 29 1 0 0 0 25 24 1 0 0 0 38 44 1 0 0 0 38 37 1 0 0 0 29 30 1 0 0 0 24 22 1 0 0 0 24 37 1 0 0 0 23 22 2 0 0 0 22 10 1 0 0 0 37 8 1 0 0 0 21 10 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 31 30 2 0 0 0 1 7 2 0 0 0 1 2 1 0 0 0 10 9 1 0 0 0 10 11 1 0 0 0 3 2 1 0 0 0 36 33 1 0 0 0 30 33 1 0 0 0 30 32 2 0 0 0 7 6 1 0 0 0 2 4 2 0 0 0 33 35 1 0 0 0 33 34 1 0 0 0 11 12 1 0 0 0 6 5 2 0 0 0 4 5 1 0 0 0 12 20 2 0 0 0 12 13 1 0 0 0 20 19 1 0 0 0 13 14 2 0 0 0 19 15 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 17 16 2 0 0 0 16 18 1 0 0 0 1 45 1 0 0 0 4 46 1 0 0 0 5 47 1 0 0 0 6 48 1 0 0 0 8 49 1 0 0 0 11 50 1 0 0 0 11 51 1 0 0 0 13 52 1 0 0 0 14 53 1 0 0 0 18 54 1 0 0 0 19 55 1 0 0 0 21 56 1 0 0 0 21 57 1 0 0 0 21 58 1 0 0 0 25 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 34 67 1 0 0 0 34 68 1 0 0 0 34 69 1 0 0 0 35 70 1 0 0 0 35 71 1 0 0 0 35 72 1 0 0 0 36 73 1 0 0 0 36 74 1 0 0 0 36 75 1 0 0 0 37 76 1 0 0 0 39 77 1 0 0 0 40 78 1 0 0 0 43 79 1 0 0 0 44 80 1 0 0 0 M END $$$$