IBS-ZINC02234845 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 66 0 0 0 0 0 0 0 0999 V2000 -0.0040 1.9260 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 0.1490 -0.2750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.0880 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 0.9580 2.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 0.6840 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 1.6520 4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 3.0270 3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 3.6750 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 2.9580 6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 1.6330 6.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 1.0570 5.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -0.5960 5.3220 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -0.5950 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6480 3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -1.3420 1.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.9520 3.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -4.0380 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -5.0320 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -4.3100 5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -3.3610 4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -6.5180 4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -7.4260 5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -7.5990 5.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -8.2950 5.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 3.5610 7.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 3.3670 8.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 3.9270 9.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 4.6870 9.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 4.8800 8.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 4.3180 7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 5.1310 4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 5.3320 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 3.9940 2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 2.1690 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 2.2230 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 2.4970 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -4.5500 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -3.6880 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -5.9250 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -4.5710 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -3.8150 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -4.7140 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -2.5230 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -3.8930 4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -6.0200 5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -7.1070 3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -8.3980 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -6.9690 6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 2.7700 8.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 3.7670 10.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 5.1210 10.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 5.4620 7.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 4.4640 6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 5.7780 5.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 5.3220 4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 5.5720 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 6.1600 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 3.9110 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 3.8450 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -5.4830 4.4070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7010 -6.0250 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 15 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 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 60 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 60 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END