IBS-ZINC02247546 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.6170 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.9570 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.7030 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -4.1180 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -4.1300 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -2.8200 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -2.4100 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -2.2740 1.3920 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5620 -1.6020 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -1.7590 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -2.5220 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -3.4080 3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -3.5690 2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -5.2790 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -6.4300 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -7.6650 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -8.8240 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -8.8090 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -7.6340 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -6.4150 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -5.2490 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.0250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -2.6410 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -0.6730 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 0.0700 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 0.3370 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -0.9920 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 1.2180 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -3.1600 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -1.4520 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 -1.9980 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.6840 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -3.1380 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 -1.8250 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -4.3760 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -2.9110 3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -7.6930 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -9.7690 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -9.7430 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -7.6380 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -0.5150 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 1.0190 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 0.8450 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -1.5000 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -0.8020 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -1.6200 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 2.1650 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 1.4080 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 0.7110 -0.8290 H 0 0 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 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 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 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END