IBS-ZINC05209087 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 3.5910 8.3880 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 7.1700 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 6.8050 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 5.5830 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 5.8230 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 4.7380 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 3.4560 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 3.3250 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 4.4120 -0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 1.9720 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.3510 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -0.0460 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.6550 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 0.0000 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 1.3490 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 2.2420 0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -2.1590 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 1.9930 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 4.8990 0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 6.0870 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 5.7990 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 3.9240 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 8.2040 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 9.2610 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 8.6320 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 7.3710 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 6.3250 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 6.5820 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 7.6430 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 6.8500 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -0.6910 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -2.5680 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.5510 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -2.4990 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 2.6030 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 2.6270 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 1.2460 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 7.0100 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 6.3690 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 2.8830 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 4.4640 0.4090 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3400 3.9370 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 41 1 0 0 0 0 22 40 1 0 0 0 0 22 41 2 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END