IFLAB-ZINC04248668 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1590 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4560 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.8360 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.6070 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.9970 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.7780 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -3.6100 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -4.1620 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -3.6920 1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -2.8540 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -1.9810 -0.5640 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -2.5860 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -1.9550 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 -1.1740 -1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -2.2590 0.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5520 -1.6800 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7280 -1.9030 0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7700 -1.2620 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1390 -1.3340 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0640 -0.5990 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6710 0.2270 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3410 0.3140 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3870 -0.4250 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -0.5290 -1.3340 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2370 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.1430 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.3120 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -3.6840 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -3.7850 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -4.8650 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -3.6700 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -2.3220 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -2.8840 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4600 -1.9730 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1090 -0.6640 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4080 0.8010 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0360 0.9570 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 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 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 M END