PUBCHEM-ZINC05360786 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0290 1.3310 -0.5060 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 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -1.9370 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -2.5820 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9280 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -0.6240 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 0.0180 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -2.6190 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -1.8720 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 -2.5430 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5730 -1.8560 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 -2.5590 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 -3.9570 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5740 -4.6520 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -3.9580 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 -4.6270 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 -3.9490 -0.0780 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7810 -4.6560 -0.2040 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.9250 -4.6300 0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8620 -6.0520 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9240 -1.8950 0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8600 -0.4720 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 1.7190 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 1.3320 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.9600 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.4430 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -3.5930 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -0.1150 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 1.0300 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -0.7970 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -0.7800 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 -5.7280 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -5.7030 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8710 -6.4630 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3780 -6.3160 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2880 -6.4630 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3750 -0.0570 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8690 -0.0680 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2860 -0.2050 1.3990 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 18 1 M CHG 1 19 -1 M END