IFLAB-ZINC04248432 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 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 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1080 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5250 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.9220 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -2.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -2.0220 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -4.0270 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -4.7230 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -2.6040 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -3.8190 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 -1.8810 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -2.5590 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 -1.5160 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8550 -2.2140 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8360 -2.0260 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8740 -2.8450 0.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1030 -3.0650 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9580 -3.9480 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5940 -4.6550 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3720 -4.4450 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4900 -3.5190 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2690 -3.1170 -0.8030 N 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 -2.3280 1.1870 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.0570 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.5960 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -4.4470 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -4.4570 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -5.7980 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -0.9120 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 -3.1780 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 -3.1880 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -0.8980 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 -0.8880 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8060 -1.3540 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3930 -2.5280 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9280 -4.1130 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2800 -5.3610 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0810 -4.9830 -1.9630 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 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 24 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 M END