OTAVA-ZINC05582045 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.0140 1.5130 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0170 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5340 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.5370 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -0.3220 0.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -0.9120 0.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -1.5410 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -1.3170 -0.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.7780 -2.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -2.4890 -1.3300 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -2.3060 -0.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0660 -1.2460 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -2.9800 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -2.9520 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -3.8430 -1.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -2.5400 -0.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4740 -3.0720 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4950 -4.4010 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6270 -4.9240 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7380 -4.1240 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7200 -2.7980 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5930 -2.2720 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1160 -1.7980 -2.0080 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -10.6540 -6.5860 -2.4570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.8890 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8810 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.8580 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.3630 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.1880 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.6240 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1580 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -2.6740 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -1.8270 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -4.0400 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -2.5130 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -2.8700 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4160 -1.8740 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6280 -5.0260 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6210 -4.5340 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5810 -1.2400 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 M END