IFLAB-ZINC04328800 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.6640 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -0.0460 -1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.1590 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -2.7780 -0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -2.8190 -2.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.2840 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -4.7780 -3.3130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9520 -5.8670 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -4.2950 -4.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -3.4900 -5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -4.0120 -4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -4.2580 -3.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -4.5930 -4.9200 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -4.4290 -6.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -5.7930 -4.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -3.3100 -4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -2.1530 -4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -1.1450 -4.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -1.2940 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -2.4560 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -3.4630 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -0.3040 -2.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -0.5260 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.4990 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -2.3250 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -4.6450 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.6610 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -3.6780 -6.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -2.4290 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -4.9340 -5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -3.2530 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.0370 -5.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -0.2420 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -2.5740 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -4.3690 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -1.4120 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -0.6750 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 0.3390 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END