IBS-ZINC02127987 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.4150 2.4750 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 1.4510 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 0.5650 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 0.6890 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 1.7300 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 2.6140 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -0.3040 -0.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2240 -1.2840 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -0.4320 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 0.1820 -2.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -1.2460 -2.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -1.9180 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -2.1240 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.4080 -4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -1.5310 -3.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0020 -0.5730 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -2.3370 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 -3.0080 -3.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -0.1160 0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -1.2220 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -2.2920 1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -1.0680 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.1330 3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9900 -1.9560 3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 -0.7200 3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 0.3440 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 0.1600 2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.2110 1.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9940 2.1150 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 1.1250 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 2.1360 0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 3.1680 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.3420 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.2290 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 1.8800 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 3.4180 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -2.8740 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.3330 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -2.9310 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.2020 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -3.4750 -4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -2.1670 -5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 -3.0990 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 -2.7810 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 -0.5850 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6700 1.3000 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -2.2620 -5.1640 O 0 5 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 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 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 30 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 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 47 -1 M END