91J Converted by convert_cif2sdf.py 2024/03/29 11:09:15 47 50 0 0 0 0 0 0 0 0999 V2000 3.4257 1.3971 0.5184 C 0 0 0 0 0 2.5840 0.1187 0.4934 C 0 0 0 0 0 1.1051 0.4828 0.3514 C 0 0 0 0 0 -1.0761 -0.6518 0.3475 C 0 0 0 0 0 -2.9747 0.6523 0.0625 C 0 0 0 0 0 -6.8423 1.7351 -0.3217 C 0 0 0 0 0 -7.6364 -0.5342 0.3361 C 0 0 0 0 0 -5.2037 -0.1552 0.0150 C 0 0 0 0 0 4.5097 -1.0550 -0.5782 C 0 0 0 0 0 6.7173 -0.0610 -0.5864 C 0 0 0 0 0 5.2721 0.1997 -0.5589 N 0 0 0 0 0 4.9082 1.0243 0.6009 C 0 0 0 0 0 0.2906 -0.7312 0.4466 N 0 0 0 0 0 -1.6356 0.5194 0.1670 N 0 0 0 0 0 -3.9688 2.0802 -0.1771 S 0 0 0 0 0 -5.4527 1.1428 -0.1592 C 0 0 0 0 0 -7.8209 0.6095 -0.6649 C 0 0 0 0 0 -6.2938 -1.2178 0.0727 C 0 0 0 0 0 -3.7863 -0.4713 0.1465 C 0 0 0 0 0 -3.1589 -1.7411 0.3325 C 0 0 0 0 0 -3.8264 -2.7580 0.4023 O 0 0 0 0 0 -1.8169 -1.7930 0.4336 N 0 0 0 0 0 3.0163 -0.7450 -0.6957 C 0 0 0 0 0 3.2446 1.9703 -0.3905 H 0 0 0 0 0 3.1531 1.9962 1.3875 H 0 0 0 0 0 2.7354 -0.4357 1.4201 H 0 0 0 0 0 0.8231 1.1725 1.1472 H 0 0 0 0 0 0.9386 0.9569 -0.6159 H 0 0 0 0 0 -7.1469 2.2120 0.6104 H 0 0 0 0 0 -6.8342 2.4723 -1.1232 H 0 0 0 0 0 -7.6495 -0.1370 1.3511 H 0 0 0 0 0 -8.4437 -1.2577 0.2160 H 0 0 0 0 0 4.8233 -1.6571 -1.4302 H 0 0 0 0 0 4.6941 -1.6060 0.3440 H 0 0 0 0 0 6.9703 -0.6097 -1.4934 H 0 0 0 0 0 7.2575 0.8847 -0.5706 H 0 0 0 0 0 6.9961 -0.6531 0.2864 H 0 0 0 0 0 5.5109 1.9323 0.6052 H 0 0 0 0 0 5.0915 0.4627 1.5169 H 0 0 0 0 0 0.7181 -1.5918 0.5804 H 0 0 0 0 0 -8.8427 0.9837 -0.6066 H 0 0 0 0 0 -7.6214 0.2470 -1.6736 H 0 0 0 0 0 -6.0765 -1.9200 0.8772 H 0 0 0 0 0 -6.3359 -1.7508 -0.8771 H 0 0 0 0 0 -1.3753 -2.6468 0.5667 H 0 0 0 0 0 2.4494 -1.6760 -0.6944 H 0 0 0 0 0 2.8277 -0.2054 -1.6240 H 0 0 0 0 0 7 18 1 0 0 0 7 17 1 0 0 0 18 8 1 0 0 0 17 6 1 0 0 0 21 20 2 0 0 0 8 19 1 0 0 0 8 16 2 0 0 0 6 16 1 0 0 0 20 19 1 0 0 0 20 22 1 0 0 0 19 5 2 0 0 0 16 15 1 0 0 0 22 4 1 0 0 0 5 15 1 0 0 0 5 14 1 0 0 0 4 14 2 0 0 0 4 13 1 0 0 0 13 3 1 0 0 0 23 9 1 0 0 0 23 2 1 0 0 0 3 2 1 0 0 0 9 11 1 0 0 0 2 1 1 0 0 0 11 12 1 0 0 0 11 10 1 0 0 0 1 12 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 2 26 1 0 0 0 3 27 1 0 0 0 3 28 1 0 0 0 6 29 1 0 0 0 6 30 1 0 0 0 7 31 1 0 0 0 7 32 1 0 0 0 9 33 1 0 0 0 9 34 1 0 0 0 10 35 1 0 0 0 10 36 1 0 0 0 10 37 1 0 0 0 12 38 1 0 0 0 12 39 1 0 0 0 13 40 1 0 0 0 17 41 1 0 0 0 17 42 1 0 0 0 18 43 1 0 0 0 18 44 1 0 0 0 22 45 1 0 0 0 23 46 1 0 0 0 23 47 1 0 0 0 M END $$$$