IBS-ZINC06754775 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 3.0240 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 3.4550 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 4.9150 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 5.5250 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 4.8650 -1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 7.0130 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 7.6730 -0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 7.6230 -1.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 9.0020 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 9.7180 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 11.1510 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 11.4770 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 10.0400 -0.6720 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 12.8970 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 13.8630 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 13.4990 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 12.1730 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 9.0980 -3.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 8.7740 -3.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 8.8890 -4.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 8.2710 -5.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.5250 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.0040 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.3960 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 3.4700 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 3.3560 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 3.1230 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 3.0090 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 5.4430 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 7.0950 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 13.0960 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 13.0290 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 14.8830 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 13.7810 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 13.3970 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 14.2820 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 12.3160 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 11.8210 -3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 7.2900 -5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 8.9000 -6.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 8.1600 -6.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 47 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 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 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M END