IFLAB-ZINC05145063 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -1.4100 0.6240 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.8060 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -1.6510 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -3.2240 1.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.7110 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -1.3980 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.6710 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.0710 -2.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -0.6670 -1.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 0.0010 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 0.6010 -3.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 0.0050 -3.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 0.7460 -4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -3.5120 -1.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -4.7950 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -5.2500 -0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -5.6490 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -5.7960 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -6.5940 -4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -7.2500 -4.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -7.1090 -3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -6.3080 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -6.1530 -1.9000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3270 -6.8230 -2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -5.3560 -0.9800 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5570 -1.3080 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.2600 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 0.9460 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 0.7010 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -1.1460 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 1.7940 -4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 0.3330 -5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 0.6680 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -3.1490 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -5.2850 -3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -6.7090 -5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -7.8740 -5.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -7.6230 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -1.5150 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -1.9090 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -0.2500 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END