IBS-ZINC06645521 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 1.0550 1.5230 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.5510 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.2860 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -0.1320 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 0.8430 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 1.6570 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5960 -3.6970 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -1.5020 0.0560 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -1.7730 0.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -1.0340 0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -2.8650 -0.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -3.6910 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -3.4890 -2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -3.7010 -3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -2.7930 -3.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0110 -1.7480 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -3.0070 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -3.0510 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -3.6110 -3.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -2.5870 -5.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -2.6690 -6.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1890 -3.6000 -6.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -1.4550 -6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -1.4060 -4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -0.0380 -4.8230 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 0.9470 -4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -2.6550 -7.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.1810 -7.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 2.1760 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 0.4520 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -0.7590 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 0.9790 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -3.4700 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -4.7420 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -2.4790 -3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -4.1850 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -3.4990 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -4.7520 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -4.0130 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -2.3130 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.1680 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -0.5310 -6.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -1.4870 -6.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -2.3390 -4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -1.2380 -3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -3.1200 -8.5890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 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 17 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 46 -1 M END