90E Converted by convert_cif2sdf.py 2024/03/29 11:09:15 56 59 0 0 0 0 0 0 0 0999 V2000 -4.3100 -1.4195 2.1584 F 0 0 0 0 0 -5.4471 -1.2514 1.3612 C 0 0 0 0 0 -6.2671 -0.2659 1.9210 F 0 0 0 0 0 -6.2171 -2.5725 1.2838 C 0 0 0 0 0 -7.3998 -2.4021 0.4311 N 0 0 0 0 0 -7.0178 -2.0411 -0.9402 C 0 0 0 0 0 -6.2729 -0.7043 -0.9294 C 0 0 0 0 0 -5.0265 -0.8270 -0.0480 C 0 0 0 0 0 -4.3401 0.4661 0.0130 N 0 0 0 0 0 -3.0199 0.5168 0.2754 C 0 0 0 0 0 -2.3970 -0.5113 0.4618 O 0 0 0 0 0 -2.3279 1.8217 0.3367 C 0 0 0 0 0 -0.9594 1.8764 0.6031 C 0 0 0 0 0 -3.0400 3.0029 0.1226 C 0 0 0 0 0 -2.3923 4.2205 0.1801 C 0 0 0 0 0 -1.0378 4.2750 0.4498 C 0 0 0 0 0 -0.3183 3.1042 0.6592 C 0 0 0 0 0 1.0535 3.1647 0.9243 N 0 0 0 0 0 1.8666 2.0969 0.6042 C 0 0 0 0 0 3.5197 1.9715 1.0191 S 0 0 0 0 0 1.4797 1.0420 -0.0534 N 0 0 0 0 0 2.3747 0.1138 -0.2778 C 0 0 0 0 0 3.6131 0.4007 0.2269 C 0 0 0 0 0 4.7999 -0.4463 0.1313 C 0 0 0 0 0 4.7386 -1.5173 -0.4452 O 0 0 0 0 0 5.9623 -0.0422 0.6801 N 0 0 0 0 0 7.1254 -0.7959 0.4887 C 0 0 0 0 0 7.1277 -2.1567 0.7686 C 0 0 0 0 0 5.6864 -2.9259 1.3565 CL 0 0 0 0 0 8.2794 -2.8977 0.5788 C 0 0 0 0 0 9.4273 -2.2858 0.1106 C 0 0 0 0 0 9.4277 -0.9311 -0.1680 C 0 0 0 0 0 8.2791 -0.1856 0.0135 C 0 0 0 0 0 8.2798 1.2887 -0.2973 C 0 0 0 0 0 -5.5723 -3.3439 0.8617 H 0 0 0 0 0 -6.5304 -2.8689 2.2852 H 0 0 0 0 0 -8.0321 -1.7191 0.8216 H 0 0 0 0 0 -6.3700 -2.8151 -1.3522 H 0 0 0 0 0 -7.9132 -1.9530 -1.5555 H 0 0 0 0 0 -5.9755 -0.4449 -1.9456 H 0 0 0 0 0 -6.9247 0.0723 -0.5305 H 0 0 0 0 0 -4.3556 -1.5765 -0.4677 H 0 0 0 0 0 -4.8374 1.2857 -0.1364 H 0 0 0 0 0 -0.4023 0.9654 0.7654 H 0 0 0 0 0 -4.0987 2.9646 -0.0882 H 0 0 0 0 0 -2.9454 5.1321 0.0148 H 0 0 0 0 0 -0.5350 5.2299 0.4920 H 0 0 0 0 0 1.4339 3.9573 1.3353 H 0 0 0 0 0 2.1543 -0.7982 -0.8130 H 0 0 0 0 0 5.9926 0.7711 1.2082 H 0 0 0 0 0 8.2815 -3.9560 0.7970 H 0 0 0 0 0 10.3259 -2.8673 -0.0367 H 0 0 0 0 0 10.3270 -0.4564 -0.5333 H 0 0 0 0 0 8.5706 1.8470 0.5917 H 0 0 0 0 0 8.9884 1.4897 -1.1003 H 0 0 0 0 0 7.2813 1.5941 -0.6090 H 0 0 0 0 0 7 6 1 0 0 0 7 8 1 0 0 0 5 6 1 0 0 0 5 4 1 0 0 0 8 2 1 0 0 0 8 9 1 0 0 0 4 2 1 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 9 10 1 0 0 0 11 10 2 0 0 0 10 12 1 0 0 0 13 12 2 0 0 0 13 17 1 0 0 0 12 14 1 0 0 0 18 17 1 0 0 0 18 19 1 0 0 0 21 19 2 0 0 0 21 22 1 0 0 0 17 16 2 0 0 0 19 20 1 0 0 0 22 23 2 0 0 0 14 15 2 0 0 0 16 15 1 0 0 0 20 23 1 0 0 0 23 24 1 0 0 0 29 28 1 0 0 0 26 24 1 0 0 0 26 27 1 0 0 0 24 25 2 0 0 0 27 28 2 0 0 0 27 33 1 0 0 0 28 30 1 0 0 0 34 33 1 0 0 0 33 32 2 0 0 0 30 31 2 0 0 0 32 31 1 0 0 0 4 35 1 0 0 0 4 36 1 0 0 0 5 37 1 0 0 0 6 38 1 0 0 0 6 39 1 0 0 0 7 40 1 0 0 0 7 41 1 0 0 0 8 42 1 0 0 0 9 43 1 0 0 0 13 44 1 0 0 0 14 45 1 0 0 0 15 46 1 0 0 0 16 47 1 0 0 0 18 48 1 0 0 0 22 49 1 0 0 0 26 50 1 0 0 0 30 51 1 0 0 0 31 52 1 0 0 0 32 53 1 0 0 0 34 54 1 0 0 0 34 55 1 0 0 0 34 56 1 0 0 0 M END $$$$