PUBCHEM-ZINC06379558 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -1.1600 2.5140 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 1.0980 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 0.2400 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 0.6590 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -1.9590 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -2.3160 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -2.1110 -2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -3.0040 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -3.5410 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 -4.0400 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3950 -3.5440 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 -4.0150 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3130 -4.9820 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9440 -5.4780 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 -5.0100 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7770 -6.5080 -1.3540 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.4550 -6.9440 -2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7840 -6.9200 -0.8060 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6960 -2.9860 0.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -2.3610 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -2.1800 2.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 3.0940 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 2.7720 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 2.7390 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.5000 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -1.5330 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -3.6000 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7910 -2.7930 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 -3.6330 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5250 -5.3930 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -3.3610 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4360 -5.4440 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2340 -4.9440 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END