IFLAB-ZINC05250766 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5270 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0030 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.5130 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5330 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0570 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.5650 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -3.8880 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -4.6590 -0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -4.4060 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -3.6340 -0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -5.7290 -0.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -6.2220 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -5.4830 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 -5.9730 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5340 -7.2000 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4700 -7.9390 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 -7.4570 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 -7.7220 0.1500 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.8510 -7.0730 -0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1110 -8.8030 0.6780 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0030 1.9040 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8900 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.8760 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.3520 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.1640 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.6030 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -0.1350 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -0.2590 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.1000 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -2.3310 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -2.4910 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -1.9480 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -6.3390 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 -4.5240 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1440 -5.3990 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 -8.8960 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -8.0360 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 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 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END