IFLAB-ZINC04942079 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.0460 1.5360 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0060 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.4900 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -0.7980 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -1.2350 2.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -1.3990 3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.1080 3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.6370 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -0.2510 2.5550 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -1.8610 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -1.7690 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -0.7190 2.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 -2.8540 1.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 -2.7950 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 -1.6210 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0850 -1.5650 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 -2.6770 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -3.8500 2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 -3.9160 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -5.0710 2.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 -6.1800 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -1.3030 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -1.0640 5.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.7550 5.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -2.0200 5.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -2.4250 6.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -1.8580 4.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.1690 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -1.9590 7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 1.9160 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 1.8950 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8870 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.3740 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.3450 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -0.6800 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -2.1520 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -2.6060 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -3.6760 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 -0.7510 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6150 -0.6500 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8520 -2.6290 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6530 -4.7170 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 -6.4370 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2030 -7.0360 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -5.9140 4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -1.2790 4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -2.9620 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 -2.4990 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.9770 7.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -1.7970 7.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -1.2530 7.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END