IBS-ZINC02355409 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -2.7540 1.0080 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -0.3090 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -0.6740 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -1.8930 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -2.7570 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -2.3820 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.1620 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -4.2960 -0.3600 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.6180 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -4.1620 0.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -5.4290 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -6.0900 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -5.4140 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -5.2690 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -4.6910 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -5.3830 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -4.3680 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -3.8180 -0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -4.2280 1.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -3.3520 1.7230 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9520 -2.6220 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2660 -4.1460 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 -4.9640 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4160 -6.3640 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5830 -7.1180 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8290 -6.4820 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9180 -5.0920 -1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7560 -4.3360 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -2.6050 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -3.3240 4.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.7820 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 0.9460 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 1.3050 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -0.0120 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -2.1610 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -3.0310 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -0.8840 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -6.1040 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -7.1400 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -4.4310 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -5.9860 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -6.2590 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -3.6180 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -4.7750 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -6.4120 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.8780 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -4.7090 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2950 -4.8140 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1170 -3.4640 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2180 -6.8730 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5200 -8.2020 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 -7.0680 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1040 -4.5930 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 -3.2520 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1820 -1.3730 3.0220 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 17 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 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 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 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 M CHG 1 55 -1 M END