IBS-ZINC04906012 MOE2007 3D Structure written by MMmdl. 52 55 0 0 0 0 0 0 0 0999 V2000 -2.8080 2.2320 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 2.5440 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 3.4880 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 3.7130 0.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 3.1250 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 3.8390 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 5.9320 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 5.1400 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 6.0940 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 5.7320 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 4.9140 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 4.4950 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 4.8830 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 5.7060 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 6.1520 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 6.9960 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 7.3650 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6190 6.9080 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7480 6.0860 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 1.7370 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.3590 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 1.5900 4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 0.2020 3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.4170 2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 0.3520 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -2.1250 2.5090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.6890 5.4140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 3.1640 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 1.7390 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 1.5830 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 3.1570 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 2.0630 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 3.7600 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 3.4190 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 5.9380 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 6.9620 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 5.5880 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 5.2220 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 5.9190 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 7.1610 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 4.5890 -3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 3.8620 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7740 4.5380 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 7.4030 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 8.0170 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 7.1940 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 5.7430 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 3.4370 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 2.0770 4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.1270 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 5.3190 -0.6460 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9640 5.3770 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 51 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END