IFLAB-ZINC02457620 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.0010 1.4020 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.0270 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -0.6560 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 0.0860 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.5560 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -1.9370 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -2.6830 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -2.0460 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -2.7780 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -4.2010 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -2.7480 0.0370 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -4.0450 0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -1.8260 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 -2.9680 -1.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -4.1900 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -4.8440 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 -3.8200 -3.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 -2.5980 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -1.9460 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7040 -3.9980 -4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -5.3630 -5.6770 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5130 -3.1030 -5.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.7760 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.7640 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.7570 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 1.1650 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 0.0230 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -3.7620 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -4.6620 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -4.5200 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -4.5050 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -3.9360 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -4.8790 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -5.6380 -3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -5.2580 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 -1.9090 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3870 -2.8520 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7260 -1.1550 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -1.5290 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 -2.2940 -4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -3.2680 -6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END