IFLAB-ZINC05143187 MOE2007 3D Structure written by MMmdl. 41 44 0 0 0 0 0 0 0 0999 V2000 -12.8510 7.3800 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5840 7.3620 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9780 6.8500 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7170 6.3650 -1.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0140 6.3880 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5490 6.8880 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6050 5.8530 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 7.2010 -0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8640 6.2650 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 6.9200 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 6.1780 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 4.8030 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 4.1980 0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9030 4.9310 0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 3.9210 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 2.5890 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 1.7280 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 2.1930 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 3.5030 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 4.3550 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 1.2980 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 1.6090 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 0.4720 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0060 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2890 7.7750 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6000 7.7390 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5070 6.8150 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9660 6.9000 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 5.2050 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 5.2420 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 7.9950 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 6.6860 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 2.2070 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 0.7220 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 3.9000 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 5.3660 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 2.6050 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 0.2240 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -0.5860 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -0.5030 -0.1450 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5090 -1.4690 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 40 1 0 0 0 0 24 39 1 0 0 0 0 24 40 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END