IBS-ZINC03985204 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.5590 1.4910 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.0140 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.6990 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.0900 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -2.7960 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -4.2570 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -4.8750 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -4.1040 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -4.6680 3.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -2.7650 2.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -6.3780 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -6.9480 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -6.2080 0.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -8.2820 1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -8.8360 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -10.3620 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -10.9420 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -12.4020 0.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -13.2760 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 -14.5150 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -14.4010 1.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -13.1390 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -5.0550 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.0970 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.6970 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -0.2810 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -1.4080 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.4760 -2.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -1.4690 -4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 1.1290 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 1.8010 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 1.8920 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 1.8690 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -0.1580 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -6.6630 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -6.7660 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -8.8740 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -8.5510 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -8.4480 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -10.6480 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -10.7500 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -10.6560 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -10.5530 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -13.0200 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -15.4380 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -12.7480 2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -5.3020 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -5.9730 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -4.4660 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -1.5380 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -2.3440 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -0.5680 -4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 1.4520 -3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 1.1640 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.7910 -2.3520 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 1 0 0 0 0 2 25 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 10 1 0 0 0 0 5 6 1 0 0 0 0 5 24 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END