90S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 39 41 0 0 0 0 0 0 0 0999 V2000 -1.4938 -0.2265 -0.0777 C 0 0 0 0 0 4.9861 2.1440 -0.3477 C 0 0 0 0 0 -1.0195 1.0306 -0.4584 C 0 0 0 0 0 0.3489 0.9827 -0.2582 C 0 0 0 0 0 1.3170 2.0624 -0.5095 C 0 0 0 0 0 3.6578 2.9356 -0.2538 C 0 0 0 0 0 -3.6313 -0.2464 1.1786 C 0 0 0 0 0 -3.6374 -0.0504 -1.3120 C 0 0 0 0 0 4.7062 0.9536 0.6072 C 0 0 0 0 0 3.2062 0.6730 0.3812 C 0 0 0 0 0 5.1916 -1.1337 -0.6994 C 0 0 0 0 0 6.1945 -2.0415 -0.7441 C 0 0 0 0 0 -2.9302 -0.6801 -0.1096 C 0 0 0 0 0 7.1589 -1.6640 0.1976 C 0 0 0 0 0 2.6089 1.9034 -0.1596 N 0 0 0 0 0 5.5128 -0.2108 0.2327 N 0 0 0 0 0 6.7491 -0.5693 0.7859 N 0 0 0 0 0 0.6213 -0.2681 0.2206 N 0 0 0 0 0 -0.4684 -0.9428 0.3074 N 0 0 0 0 0 0.9513 3.0974 -1.0324 O 0 0 0 0 0 6.2783 -3.5522 -1.8767 BR 0 0 0 0 0 5.1623 1.7957 -1.3656 H 0 0 0 0 0 5.8242 2.7421 0.0093 H 0 0 0 0 0 -1.5980 1.8638 -0.8300 H 0 0 0 0 0 3.6523 3.5651 0.6358 H 0 0 0 0 0 3.5147 3.5431 -1.1476 H 0 0 0 0 0 -3.5952 0.8396 1.2644 H 0 0 0 0 0 -4.6707 -0.5743 1.1557 H 0 0 0 0 0 -3.1274 -0.6951 2.0350 H 0 0 0 0 0 -3.6013 1.0356 -1.2261 H 0 0 0 0 0 -3.1376 -0.3592 -2.2302 H 0 0 0 0 0 -4.6768 -0.3783 -1.3349 H 0 0 0 0 0 4.8970 1.2359 1.6417 H 0 0 0 0 0 3.0840 -0.1419 -0.3325 H 0 0 0 0 0 2.7304 0.4124 1.3266 H 0 0 0 0 0 4.2971 -1.1431 -1.3046 H 0 0 0 0 0 -2.9664 -1.7661 -0.1954 H 0 0 0 0 0 8.0821 -2.1853 0.4023 H 0 0 0 0 0 1.5031 -0.5970 0.4550 H 0 0 0 0 0 7 13 1 0 0 0 19 1 2 0 0 0 19 18 1 0 0 0 13 1 1 0 0 0 13 8 1 0 0 0 1 3 1 0 0 0 18 4 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 20 2 0 0 0 5 15 1 0 0 0 15 10 1 0 0 0 15 6 1 0 0 0 10 9 1 0 0 0 6 2 1 0 0 0 2 9 1 0 0 0 9 16 1 0 0 0 16 11 1 0 0 0 16 17 1 0 0 0 11 12 2 0 0 0 17 14 2 0 0 0 12 14 1 0 0 0 12 21 1 0 0 0 2 22 1 0 0 0 2 23 1 0 0 0 3 24 1 0 0 0 6 25 1 0 0 0 6 26 1 0 0 0 7 27 1 0 0 0 7 28 1 0 0 0 7 29 1 0 0 0 8 30 1 0 0 0 8 31 1 0 0 0 8 32 1 0 0 0 9 33 1 0 0 0 10 34 1 0 0 0 10 35 1 0 0 0 11 36 1 0 0 0 13 37 1 0 0 0 14 38 1 0 0 0 18 39 1 0 0 0 M END $$$$