COMGENEX-ZINC06722016 MOE2007 3D Structure written by MMmdl. 52 54 0 0 0 0 0 0 0 0999 V2000 9.2520 3.3120 -4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 2.0450 -5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 1.9930 -3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 2.0470 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 3.0040 -2.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 0.9700 -1.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 0.8630 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 1.7400 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 2.1810 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 1.9870 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 1.5080 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 2.4220 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 3.7500 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 4.2180 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 3.2950 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 3.4040 -0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 4.6480 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 5.1680 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 5.4780 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 5.9270 3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 6.0980 3.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 5.8200 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 5.3590 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 1.9800 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 0.8250 0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 2.4610 -4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2190 3.9180 -5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5510 3.9340 -3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 1.7440 -5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 2.7210 -6.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 1.1720 -5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 2.4610 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1110 0.9690 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 0.2240 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -0.1890 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 1.1320 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 2.6380 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 1.1950 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 0.4870 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 4.4340 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 5.2350 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 4.4470 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 5.3970 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 5.3700 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 6.1670 4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 5.9810 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 5.1570 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 1.3600 0.4530 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0940 0.3880 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8720 2.7920 -4.3540 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2500 3.6050 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 2.7980 -0.2010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 50 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 50 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 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 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 16 1 0 0 0 0 9 48 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 48 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 48 1 M CHG 1 50 1 M CHG 1 52 -1 M END