PUBCHEM-ZINC06338669 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 0.0980 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -0.5580 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9570 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -2.6840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0320 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -4.1630 0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6050 -4.7360 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -4.8070 -0.0100 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8520 0.2200 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -0.4160 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 0.3340 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 1.5500 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 -0.3620 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7400 0.3740 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9540 -0.2810 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9980 -1.6640 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8260 -2.3990 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6050 -1.7570 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3040 -2.3600 0.1050 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.3380 -1.7150 0.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3460 -3.5770 0.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1780 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -2.4670 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 1.2990 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -1.4960 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7070 1.4540 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8730 0.2870 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8670 -3.4780 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6910 -2.3320 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -2.7530 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -2.9710 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 22 1 M CHG 1 24 -1 M END