9XW Converted by convert_cif2sdf.py 2024/03/29 11:09:15 54 57 0 0 0 0 0 0 0 0999 V2000 -2.6169 -0.0252 -0.2644 C 0 0 0 0 0 -0.1438 0.1608 -0.5661 C 0 0 0 0 0 2.1332 -0.4482 -0.7956 C 0 0 0 0 0 4.4832 -1.1329 -0.8109 C 0 0 0 0 0 5.4731 -0.7695 0.3003 C 0 0 0 0 0 5.9965 0.6496 0.0672 C 0 0 0 0 0 3.8327 1.3034 -0.9961 C 0 0 0 0 0 -1.9028 -1.2244 -0.2737 C 0 0 0 0 0 -2.7311 -4.8064 0.0485 C 0 0 0 0 0 -2.6188 -2.4355 -0.1133 C 0 0 0 0 0 -3.9851 -2.4228 0.0449 C 0 0 0 0 0 -4.6842 -1.2241 0.0518 C 0 0 0 0 0 -4.0057 -0.0296 -0.1008 C 0 0 0 0 0 -5.6426 1.2540 -1.2305 C 0 0 0 0 0 -6.3482 2.6130 -1.2188 C 0 0 0 0 0 -6.1349 2.7259 1.1645 C 0 0 0 0 0 -5.4266 1.3667 1.1777 C 0 0 0 0 0 7.0115 1.0042 1.1558 C 0 0 0 0 0 4.8296 1.6396 0.1169 C 0 0 0 0 0 -4.7124 1.1803 -0.0947 N 0 0 0 0 0 1.1863 0.5099 -0.7440 N 0 0 0 0 0 3.4345 -0.1053 -0.8648 N 0 0 0 0 0 -0.5771 -1.0453 -0.4402 N 0 0 0 0 0 -1.9501 -3.6209 -0.1174 O 0 0 0 0 0 -7.0111 2.7904 0.0354 O 0 0 0 0 0 1.8128 -1.6205 -0.7791 O 0 0 0 0 0 6.6266 0.7208 -1.2132 O 0 0 0 0 0 -1.4780 1.3024 -0.4760 S 0 0 0 0 0 5.0052 -1.1736 -1.7663 H 0 0 0 0 0 4.0332 -2.1035 -0.5986 H 0 0 0 0 0 4.9708 -0.8177 1.2658 H 0 0 0 0 0 6.3069 -1.4711 0.2884 H 0 0 0 0 0 2.9531 1.9405 -0.9044 H 0 0 0 0 0 4.3003 1.4641 -1.9674 H 0 0 0 0 0 -2.0764 -5.6780 0.0260 H 0 0 0 0 0 -3.2521 -4.7668 1.0048 H 0 0 0 0 0 -3.4592 -4.8780 -0.7604 H 0 0 0 0 0 -4.5187 -3.3538 0.1653 H 0 0 0 0 0 -5.7565 -1.2250 0.1763 H 0 0 0 0 0 -6.3839 0.4585 -1.1448 H 0 0 0 0 0 -5.0899 1.1389 -2.1618 H 0 0 0 0 0 -5.6133 3.4059 -1.3573 H 0 0 0 0 0 -7.0791 2.6496 -2.0262 H 0 0 0 0 0 -6.7118 2.8440 2.0813 H 0 0 0 0 0 -5.3942 3.5224 1.0949 H 0 0 0 0 0 -4.7152 1.3358 2.0026 H 0 0 0 0 0 -6.1630 0.5729 1.3003 H 0 0 0 0 0 7.8427 0.2997 1.1199 H 0 0 0 0 0 7.3841 2.0147 0.9904 H 0 0 0 0 0 6.5312 0.9490 2.1328 H 0 0 0 0 0 4.3334 1.5681 1.0841 H 0 0 0 0 0 5.2058 2.6529 -0.0256 H 0 0 0 0 0 1.4355 1.4431 -0.8319 H 0 0 0 0 0 6.9826 1.5941 -1.4278 H 0 0 0 0 0 18 6 1 0 0 0 16 17 1 0 0 0 16 25 1 0 0 0 17 20 1 0 0 0 25 15 1 0 0 0 5 6 1 0 0 0 5 4 1 0 0 0 6 19 1 0 0 0 6 27 1 0 0 0 19 7 1 0 0 0 20 13 1 0 0 0 20 14 1 0 0 0 15 14 1 0 0 0 26 3 2 0 0 0 4 22 1 0 0 0 28 1 1 0 0 0 28 2 1 0 0 0 3 22 1 0 0 0 3 21 1 0 0 0 13 1 2 0 0 0 13 12 1 0 0 0 22 7 1 0 0 0 1 8 1 0 0 0 2 21 1 0 0 0 2 23 2 0 0 0 12 11 2 0 0 0 8 23 1 0 0 0 8 10 2 0 0 0 11 10 1 0 0 0 10 24 1 0 0 0 9 24 1 0 0 0 4 29 1 0 0 0 4 30 1 0 0 0 5 31 1 0 0 0 5 32 1 0 0 0 7 33 1 0 0 0 7 34 1 0 0 0 9 35 1 0 0 0 9 36 1 0 0 0 9 37 1 0 0 0 11 38 1 0 0 0 12 39 1 0 0 0 14 40 1 0 0 0 14 41 1 0 0 0 15 42 1 0 0 0 15 43 1 0 0 0 16 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 18 50 1 0 0 0 19 51 1 0 0 0 19 52 1 0 0 0 21 53 1 0 0 0 27 54 1 0 0 0 M END $$$$