IFLAB-ZINC05240792 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -0.6670 1.7150 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 0.2150 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -0.5580 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -2.8090 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -4.2840 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -4.9180 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -4.1190 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -5.0070 3.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -6.4730 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -6.3220 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -7.4990 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -8.5170 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -7.4600 -1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -7.6740 2.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -7.8810 4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -7.0780 5.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -9.2890 4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -9.8910 5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -11.2270 5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -11.9610 5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -11.3560 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -10.0100 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -9.3270 2.8370 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -8.2740 4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 -7.5980 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.6290 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 2.2570 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.9900 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 2.0480 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.0800 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.0050 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -0.3700 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -0.2840 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -2.3240 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -2.7090 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -4.8090 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -4.3500 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -6.7040 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -8.2540 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -8.4760 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -9.3230 5.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -11.6960 6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -13.0050 5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -11.9480 3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -7.5140 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -8.8920 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -6.9680 3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -8.3300 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -6.9540 2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.2860 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -2.2160 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -2.0500 0.2430 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3530 -2.2080 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END