PUBCHEM-ZINC06512476 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.4520 1.8830 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 0.3800 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -0.3420 0.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -0.6690 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -0.5510 -2.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -1.0830 -0.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9940 -0.1300 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -2.0530 -1.3090 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9670 -1.5280 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -2.0730 1.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2090 -1.7490 0.7270 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6260 -2.6780 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.7660 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.4550 2.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -0.9520 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 -1.1640 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8180 -0.8780 1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9800 -1.1880 2.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9040 -1.0920 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7130 -1.6470 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -1.6590 3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7810 -2.1130 4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -2.5260 5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -2.4940 5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5850 -2.0560 4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -3.3870 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -3.3250 3.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -3.2010 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -4.5080 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -5.5380 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -5.2860 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -4.0000 -4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -2.9790 -3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -1.7270 -3.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.4130 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 2.2130 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 2.1760 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 0.1150 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 0.0760 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -0.7920 2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 0.0000 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 -0.4940 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -2.1580 4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.8810 6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6680 -2.8200 6.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6610 -2.0390 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -4.7670 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -6.5390 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -6.0870 -4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -3.7850 -4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -1.2080 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -2.3710 -0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 -3.3690 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -4.3750 1.4810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 13 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 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 52 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 54 -1 M END