IFLAB-ZINC02720594 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -2.6400 2.7000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -4.3790 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -4.8250 1.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -6.1420 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -6.9300 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -6.5920 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -7.5760 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -8.9120 -1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -9.2690 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -8.2810 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -8.3380 1.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -9.1560 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -7.0580 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -6.5650 3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -7.3300 3.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -5.2280 3.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -4.6880 4.5240 C 0 0 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 -1.0200 -0.3810 0.0100 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -5.5540 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -7.3120 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -9.6800 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -10.3110 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -4.5700 5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -5.3730 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -3.7190 4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 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 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 M END