IFLAB-ZINC03864860 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.5020 2.1650 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 0.9260 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 0.1700 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 0.6590 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 1.9130 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 2.6560 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -0.1410 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 0.4590 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 -0.1780 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -1.3850 -0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4760 0.6600 -0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2560 1.9760 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 3.2140 -0.1550 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 2.1960 0.1270 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 0.1490 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1490 0.0370 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5710 -0.4960 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 -0.6080 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 -1.1410 -3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 -1.2520 -5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7720 -0.9360 -5.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8130 -1.7020 -5.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1460 -1.6780 -6.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2100 -2.0490 -7.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5420 -2.0240 -9.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8080 -1.6280 -9.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7500 -1.2570 -8.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4270 -1.2720 -7.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4280 -0.8700 -6.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1610 -0.9350 -5.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 2.7540 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 0.5500 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.7980 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 2.2970 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 3.6240 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -1.2070 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 0.8330 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9210 -0.8340 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -0.6470 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 1.0200 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2790 0.1880 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 -1.4790 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 -1.2920 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 0.3750 -3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0120 -0.4580 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3860 -2.1240 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4470 -2.0440 -4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2210 -2.3580 -7.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 -2.3140 -9.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0570 -1.6120 -10.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7350 -0.9500 -9.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6390 -0.4300 -6.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2620 -0.1780 -6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 52 53 1 0 0 0 0 M END