IFLAB-ZINC04248488 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4000 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -0.6690 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.0110 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.4020 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 0.7080 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.7790 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.3810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 0.7330 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 1.5740 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 1.5980 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 2.1090 -2.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 2.0490 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 1.4180 -3.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 3.8140 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1030 4.7860 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7940 6.1190 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 6.4920 -3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 5.5230 -3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 4.1820 -3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 5.8550 -4.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 7.2890 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 8.2160 -4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 7.9630 -3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9300 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.7490 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -1.4240 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 1.1690 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -0.2840 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 1.1390 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 2.5920 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 1.3160 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9580 4.5040 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4100 6.8780 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 3.4220 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 5.7430 -5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 5.1700 -4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 7.5670 -5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 7.3700 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 8.0040 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 9.2560 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 8.3260 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3410 8.5000 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 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 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END