IBS-ZINC02250704 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.0200 1.4720 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.0210 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.5820 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 0.0820 -1.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.0860 -1.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1970 -2.4660 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -2.6540 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -4.1590 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -4.8030 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -6.1820 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -6.9210 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -6.2730 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -4.8940 -2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -8.2780 -0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -2.4930 -2.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -2.5670 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 -2.2960 -1.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -2.9860 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -2.9870 -3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 -3.4060 -4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -3.6770 -5.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -3.4800 -4.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 -3.9610 -5.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -3.6910 -7.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 -4.1680 -8.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 -4.9120 -8.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 -5.1820 -6.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8130 -4.7040 -5.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7830 -5.5180 -9.4630 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5440 -6.6410 -9.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8090 -5.5840 -10.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 -4.3610 -9.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.8510 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.8260 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8300 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -2.2790 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -2.3460 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -4.2280 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -6.6850 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -6.8460 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -4.3880 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -8.7070 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -2.7100 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -3.9870 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -2.2860 -4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -1.9850 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -3.6860 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -3.1990 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -3.1100 -7.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 -3.9590 -9.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 -5.7640 -6.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 -4.9110 -4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9510 -3.5380 -9.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4380 -4.5060 -10.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 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 48 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 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END