IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.0900 0.7180 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.3840 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 1.5510 -2.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 1.7990 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 1.6850 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 2.0720 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 1.9860 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 2.4730 -1.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 2.4410 -2.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8800 1.7550 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 3.8100 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 4.0560 -4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 5.3010 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 6.3170 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 6.0990 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 4.8490 -1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 7.6120 -4.0170 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7120 7.7600 -5.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 8.4760 -3.1610 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3600 2.8690 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 4.3430 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 4.7280 -3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 6.2260 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4360 6.6450 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7490 8.1480 -3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0110 8.8550 -3.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 1.3500 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -0.1800 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 1.3980 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 0.3960 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 3.2750 -4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 5.4550 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 6.8820 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 4.7010 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 2.6300 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 2.2540 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 4.5550 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 4.9760 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 4.4700 -4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 4.1520 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 6.4810 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 6.7930 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2580 6.3660 -4.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3320 6.1080 -3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.2510 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7210 8.4940 -4.5670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 46 -1 M END