IBS-ZINC01276628 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.1810 1.4120 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0980 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.5160 -1.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.7320 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -1.1620 -2.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.1940 -3.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.7980 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -0.6460 -2.8060 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -1.1660 -4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -1.1340 -5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 0.0280 -5.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 0.0600 -6.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -1.0640 -6.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -2.2230 -5.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -2.2580 -5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 -1.0260 -6.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2610 0.0600 -7.3600 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0990 -0.5450 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -1.0670 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.8540 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -0.1260 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 0.3620 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 0.1710 0.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 1.9130 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.8140 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 1.6790 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.5130 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.5680 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -0.5090 -5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -2.1800 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 0.9190 -5.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 0.9720 -6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -3.1060 -5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -3.1690 -4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -1.6310 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -1.2530 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 0.0570 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 0.9390 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 -2.0840 -6.7140 O 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 7 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 39 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 M CHG 1 17 -1 M END