IBS-ZINC05025095 MOE2007 3D Structure written by MMmdl. 46 48 0 0 0 0 0 0 0 0999 V2000 0.9570 3.7600 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 2.2700 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.4340 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 0.0470 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -0.5280 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.3120 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 1.6980 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -2.0220 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -2.4970 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -3.0860 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -4.4950 -3.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -4.5990 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -4.0540 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -5.0600 -4.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -6.2370 -4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -7.0260 -5.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -6.5290 -6.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -7.2960 -8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -8.5550 -7.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -9.0500 -6.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -8.2860 -5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 4.1640 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 4.2290 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 4.0340 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.8590 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -0.5740 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -0.0970 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.3320 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -2.2770 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -2.5300 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -3.0240 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -1.4360 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -2.4780 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -3.0240 -3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -4.0700 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -5.6520 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -4.0700 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -4.6250 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -6.6950 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -5.5490 -7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -6.9130 -9.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -9.1510 -8.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -10.0310 -6.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -8.6870 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.6130 -1.3580 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9790 -2.0680 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END