IBS-ZINC04116224 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 0.0350 1.3830 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.6390 1.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0730 1.6180 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 1.2010 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 1.2220 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 1.6530 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 2.0470 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 2.0280 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 2.3920 3.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 2.3220 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 1.9220 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 1.8190 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 2.1360 3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 2.5610 4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 2.6470 4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 1.9800 3.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 2.1520 4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 1.7050 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 1.7630 5.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 1.0740 7.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 1.5310 7.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 2.4530 7.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 1.2100 8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.3090 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 1.9560 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.7420 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 0.8300 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 0.8980 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 1.6730 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 2.3700 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 1.4580 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.8300 5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 2.9670 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 1.7420 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 3.2040 5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 1.5550 5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 0.6750 4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 2.3380 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 0.3160 7.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8410 2.9790 7.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 2.6030 6.1320 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9090 3.2420 5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 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 16 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 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 2 1 M CHG 1 41 1 M END