PUBCHEM-ZINC03873937 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 0.3470 1.3090 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.0880 0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -0.7450 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.7690 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -0.1550 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -0.8280 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -2.1570 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -2.7950 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.1180 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -4.1210 0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -4.8720 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -6.2060 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -7.0200 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -8.2320 -0.1470 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2470 -8.8740 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -9.0520 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -6.3550 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -5.0220 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -4.2010 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -2.8830 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -2.2360 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5010 -1.2350 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -0.5930 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -0.9390 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 -1.9410 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -2.5970 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 -3.6920 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -3.7090 -2.5820 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.8670 -0.3100 -0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 1.6920 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 1.4310 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 1.9430 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -1.0980 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.5910 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -0.0670 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.8810 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 -0.2800 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -2.6830 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -6.6860 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -9.2080 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -9.7280 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -8.1530 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -8.5390 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 -10.0390 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 -9.1790 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -6.9300 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 -4.5430 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -0.9470 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9960 0.1770 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9710 -2.2360 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1320 0.4150 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5150 -0.5690 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 -4.5240 -2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 39 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 14 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 2 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 1 14 1 M CHG 1 28 -1 M END