PUBCHEM-ZINC05431105 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 -1.4140 -1.9860 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -2.6140 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -1.9660 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -4.0870 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -4.7390 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -6.1030 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -6.8490 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -6.1970 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -4.8330 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -8.2130 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -8.8920 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -10.3610 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -11.0930 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -12.4690 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -13.1330 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -12.4230 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -11.0380 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -13.2430 -2.6180 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2720 -12.6630 -3.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -14.4600 -2.6210 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 -4.8140 -4.1630 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 -6.6060 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -6.7730 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -4.3290 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -8.3750 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -10.5800 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -14.2120 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -12.9480 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -10.3400 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 -10.1100 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END