IBS-ZINC04087900 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.7910 1.2910 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0160 0.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7010 -0.8020 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 0.2310 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 0.0740 0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.4720 -1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -0.9400 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -1.1120 -2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -1.3410 -3.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0120 -2.3720 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.5240 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -0.8090 -4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 0.1900 -5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -0.0700 -7.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -1.3280 -7.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -2.3290 -6.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -2.0710 -5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -1.3330 -4.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -0.0990 -5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.9800 -4.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -0.1080 -6.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 1.1090 -6.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 1.1230 -7.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -0.0740 -8.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -1.2840 -7.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -1.3160 -6.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -2.5290 -6.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.5630 -5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -3.6280 -4.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -3.7910 -7.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 2.0890 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 1.1840 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 1.6250 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -0.4140 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 0.5510 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -0.7520 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 1.1750 -5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 0.7100 -7.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -1.5300 -8.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 -3.3100 -6.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -2.8630 -4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 2.0460 -6.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 2.0640 -8.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -0.0720 -9.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -2.1910 -8.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -3.7700 -8.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -4.6480 -6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -3.9420 -6.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 0.5390 2.3150 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 49 1 0 0 0 0 6 7 1 0 0 0 0 6 34 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 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 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 41 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M CHG 1 49 -1 M END