94J Converted by convert_cif2sdf.py 2024/03/29 11:09:15 55 56 0 0 0 0 0 0 0 0999 V2000 -4.6088 -0.2486 1.0867 C 0 0 0 0 0 4.9216 -0.7378 -1.3006 C 0 0 0 0 0 -7.6824 0.3800 0.1779 C 0 0 0 0 0 7.9958 0.1663 -0.6712 C 0 0 0 0 0 7.6454 1.5014 -0.7364 C 0 0 0 0 0 -8.4687 -0.4293 -0.6199 C 0 0 0 0 0 -8.9029 0.0257 -1.8520 C 0 0 0 0 0 8.0732 2.3778 0.2447 C 0 0 0 0 0 8.7740 -0.2938 0.3749 C 0 0 0 0 0 -7.3334 1.6467 -0.2535 C 0 0 0 0 0 -7.7676 2.1017 -1.4842 C 0 0 0 0 0 9.2019 0.5812 1.3559 C 0 0 0 0 0 2.5782 -0.3409 -0.7663 C 0 0 0 0 0 -2.2637 -0.0915 0.4461 C 0 0 0 0 0 -8.5499 1.2913 -2.2850 C 0 0 0 0 0 8.8525 1.9170 1.2914 C 0 0 0 0 0 1.3650 -1.1464 -0.2965 C 0 0 0 0 0 -1.0565 -1.0214 0.3094 C 0 0 0 0 0 0.1568 -0.2166 -0.1598 C 0 0 0 0 0 -3.4248 -0.8626 0.8964 N 0 0 0 0 0 3.7339 -1.2305 -0.8975 N 0 0 0 0 0 5.9857 -1.5572 -1.4208 N 0 0 0 0 0 -5.6762 -0.9568 1.5059 N 0 0 0 0 0 7.1816 -0.1663 -3.0718 O 0 0 0 0 0 8.3550 -2.0419 -1.9081 O 0 0 0 0 0 -6.8563 0.9559 2.5279 O 0 0 0 0 0 -4.7135 0.9463 0.8850 O 0 0 0 0 0 5.0340 0.4452 -1.5563 O 0 0 0 0 0 -8.0466 -1.2093 2.1479 O 0 0 0 0 0 -7.1297 -0.2002 1.7465 S 0 0 0 0 0 7.4444 -0.9513 -1.9160 S 0 0 0 0 0 -9.8906 -0.9903 -2.8550 CL 0 0 0 0 0 7.6336 4.0558 0.1631 CL 0 0 0 0 0 7.0374 1.8608 -1.5540 H 0 0 0 0 0 -8.7445 -1.4173 -0.2823 H 0 0 0 0 0 9.0473 -1.3375 0.4266 H 0 0 0 0 0 -6.7226 2.2801 0.3720 H 0 0 0 0 0 -7.4948 3.0916 -1.8209 H 0 0 0 0 0 9.8099 0.2211 2.1727 H 0 0 0 0 0 2.3593 0.1155 -1.7319 H 0 0 0 0 0 2.7998 0.4401 -0.0381 H 0 0 0 0 0 -2.0410 0.6881 1.1742 H 0 0 0 0 0 -2.4815 0.3642 -0.5189 H 0 0 0 0 0 -8.8879 1.6473 -3.2478 H 0 0 0 0 0 9.1872 2.6012 2.0574 H 0 0 0 0 0 1.1424 -1.9260 -1.0246 H 0 0 0 0 0 1.5829 -1.6014 0.6692 H 0 0 0 0 0 -0.8376 -1.4771 1.2757 H 0 0 0 0 0 -1.2790 -1.8017 -0.4181 H 0 0 0 0 0 0.3794 0.5637 0.5676 H 0 0 0 0 0 -0.0611 0.2399 -1.1254 H 0 0 0 0 0 -3.3419 -1.8161 1.0570 H 0 0 0 0 0 3.6445 -2.1755 -0.6931 H 0 0 0 0 0 5.8963 -2.5014 -1.2171 H 0 0 0 0 0 -5.5934 -1.9096 1.6672 H 0 0 0 0 0 26 30 2 0 0 0 11 10 2 0 0 0 11 15 1 0 0 0 10 3 1 0 0 0 15 7 2 0 0 0 3 30 1 0 0 0 3 6 2 0 0 0 30 29 2 0 0 0 30 23 1 0 0 0 7 6 1 0 0 0 7 32 1 0 0 0 23 1 1 0 0 0 1 27 2 0 0 0 1 20 1 0 0 0 20 14 1 0 0 0 14 18 1 0 0 0 17 13 1 0 0 0 17 19 1 0 0 0 18 19 1 0 0 0 13 21 1 0 0 0 21 2 1 0 0 0 2 28 2 0 0 0 2 22 1 0 0 0 22 31 1 0 0 0 31 4 1 0 0 0 31 24 2 0 0 0 31 25 2 0 0 0 4 9 2 0 0 0 4 5 1 0 0 0 9 12 1 0 0 0 12 16 2 0 0 0 5 8 2 0 0 0 8 16 1 0 0 0 8 33 1 0 0 0 5 34 1 0 0 0 6 35 1 0 0 0 9 36 1 0 0 0 10 37 1 0 0 0 11 38 1 0 0 0 12 39 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 14 42 1 0 0 0 14 43 1 0 0 0 15 44 1 0 0 0 16 45 1 0 0 0 17 46 1 0 0 0 17 47 1 0 0 0 18 48 1 0 0 0 18 49 1 0 0 0 19 50 1 0 0 0 19 51 1 0 0 0 20 52 1 0 0 0 21 53 1 0 0 0 22 54 1 0 0 0 23 55 1 0 0 0 M END $$$$