PUBCHEM-ZINC05792822 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -4.0410 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -4.5320 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -5.9970 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -6.6550 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -6.0340 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -8.1300 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -8.8490 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -10.2260 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -10.9040 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 -10.2060 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -8.8190 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -10.9860 -0.0280 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9660 -10.3940 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -12.2040 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -4.4160 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -4.4060 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -4.1670 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -4.1570 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -6.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -8.3250 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -11.9840 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -10.7420 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -2.5720 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -2.2080 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 -8.1330 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 -7.9290 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END