IFLAB-ZINC04291860 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.0760 1.3670 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.0290 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7490 -0.6770 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 0.0980 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -0.2910 2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.6410 -0.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -1.0810 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -1.0850 -2.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -1.5930 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -1.2550 -2.8830 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1470 -1.5670 -3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -1.9190 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 -3.1270 -2.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -1.0010 -3.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 0.3150 -3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 1.2860 -3.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 0.8320 -3.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7470 1.8320 -3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1570 1.6370 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1850 2.5440 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3760 1.7880 -4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0030 0.4690 -4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6610 0.3660 -3.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 0.5440 -3.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.8180 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 1.3430 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 2.0330 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -0.7270 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -2.6810 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -1.2030 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 -1.2600 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3780 2.8730 -3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0870 3.6200 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3810 2.1580 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5430 -0.4660 -4.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 0.5550 2.0060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 6 7 1 0 0 0 0 6 28 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 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 36 -1 M END