IFLAB-ZINC02712462 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0200 1.3000 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0820 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.7490 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -0.0340 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.3480 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0150 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.7620 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -0.9870 -1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 -1.6250 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -2.0130 -0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 -1.8570 -3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 -2.7310 -3.1240 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 -2.8660 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -3.4830 -5.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 -3.8420 -4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8700 -3.5970 -6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -4.1500 -7.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 -3.0700 -7.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 -2.4490 -7.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6380 -2.3720 -5.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 -1.9180 -7.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0910 -3.1670 -8.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 -2.6160 -9.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0430 -2.1090 -8.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 -2.6260 -10.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3540 -2.1010 -11.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2220 -2.2490 -13.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1070 -2.8720 -13.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1490 -3.3220 -12.1010 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 1.8220 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.6400 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -1.8290 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 1.9060 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.0950 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -0.1620 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.7200 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -0.6780 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -2.4570 -3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 -0.8980 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 -1.9780 -8.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -1.4860 -7.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 -3.6300 -9.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 -1.6180 -11.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9640 -1.8880 -13.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -3.0690 -14.4700 H 0 0 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 M END