IBS-ZINC05204218 MOE2007 3D Structure written by MMmdl. 44 47 0 0 0 0 0 0 0 0999 V2000 0.6930 4.3320 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 3.6480 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 1.5290 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.0380 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -0.6690 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.0610 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -0.6110 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -1.9450 2.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -2.5980 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -2.0720 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -3.2210 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -4.3530 1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -3.9460 1.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -4.6350 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -3.2100 -0.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 0.1360 2.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 0.0750 4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 -0.7050 5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.7180 6.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 0.0530 6.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 0.8320 5.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 0.8420 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.5700 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 4.1080 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 5.4180 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 4.0510 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 3.9480 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 3.9070 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 2.0300 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 1.7080 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.4150 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.1040 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -4.0900 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -2.3920 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.7740 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -1.3130 4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -1.3330 7.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 0.0420 7.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 1.4300 6.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 1.4570 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 1.9890 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 1.9270 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 2.1390 0.2100 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7220 1.8190 -0.6790 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 27 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END