IBS-ZINC04785602 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 0 0 0 0 0 0999 V2000 0.0570 1.0120 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.4820 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -1.1840 0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -1.5030 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.2370 -1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -2.2220 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.5640 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -3.2890 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -3.5170 -0.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -2.6870 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -2.5150 -2.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -2.9700 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -3.6150 -3.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -2.6010 -4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -2.9630 -7.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -4.0670 -7.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -1.5860 -7.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -3.2590 -8.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -3.8020 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -3.7610 3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -2.5250 3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -2.2700 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -2.7210 4.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -1.3470 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 1.5630 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 1.2620 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 1.3550 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.8420 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -0.7080 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -1.9890 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -1.5250 -4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -3.1700 -5.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -3.8570 -7.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -5.0390 -7.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -4.1660 -8.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -1.5320 -8.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -0.7910 -7.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.3650 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -4.2300 -8.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -2.4950 -8.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -3.2820 -9.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4110 -3.2130 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7770 -4.8450 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -2.9390 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -1.2390 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -3.5910 4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -1.8420 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -2.9200 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -1.5860 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -0.4410 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5150 -1.1060 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -2.9630 -6.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8310 -3.8900 -5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -2.3440 -5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 52 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END