IBS-ZINC04089885 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 60 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.4080 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.9280 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -2.2690 2.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2920 -1.7880 3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -3.7620 3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -4.4150 2.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -4.3720 3.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -5.8240 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -6.2580 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -5.9050 3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -7.7840 4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -8.2180 5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -7.6200 6.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -7.9730 7.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -6.0940 6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -5.6600 5.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -8.0470 7.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -8.7600 6.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -7.6380 8.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1250 -8.0530 8.9620 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8750 -8.1120 8.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -7.0310 10.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 -5.6890 9.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3700 -4.4780 10.5750 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 -2.9780 9.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -9.4040 9.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -9.9630 9.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.0240 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.0010 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.3610 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -2.3350 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -3.8500 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -6.3200 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -6.0990 4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -8.2100 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -8.1370 5.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -7.8650 4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -9.3060 5.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -5.7410 5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -5.6680 7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -6.0120 6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -4.5720 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -7.0680 8.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 -7.3840 10.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -6.9070 10.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -5.3360 8.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -5.8140 8.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -2.1700 10.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -2.6930 9.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -3.1710 8.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -1.9450 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -9.9870 10.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -1.7890 2.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -2.2210 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 -10.8540 10.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 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 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 58 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 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 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 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 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 56 58 1 0 0 0 0 57 60 1 0 0 0 0 58 59 1 0 0 0 0 M END