IBS-ZINC05245114 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 -2.0860 8.7250 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 8.7320 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 7.8760 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 7.8330 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 6.9650 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 6.1290 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 6.1790 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 7.0460 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 5.1960 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 5.6940 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 6.8920 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 4.7040 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 5.1050 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 4.1540 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5570 2.8040 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 2.3950 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 3.3390 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 2.9530 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 3.8290 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 3.3530 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 1.2490 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.8630 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.2230 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.6570 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -1.1210 -1.3910 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 9.4530 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 8.9850 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 7.7310 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 8.4800 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 6.9320 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 5.5360 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 7.0820 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 6.1550 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 4.4590 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 2.0670 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 1.3420 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 3.9730 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.8340 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8260 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.4910 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.9290 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -3.6700 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 19 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 M END