IFLAB-ZINC05251740 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7090 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1040 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7030 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9910 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6680 -1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6510 -2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.0630 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -3.0480 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -4.2750 -3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.0380 -2.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.8620 -6.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.7390 -6.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -3.8320 -6.7510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0630 -2.8530 2.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.1820 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -3.2300 4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.5390 6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.2390 6.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -1.6050 7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -1.2730 8.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -1.5740 7.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.2110 6.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1930 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -1.0010 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -5.2500 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -3.8220 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -1.5460 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -1.5710 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -3.8650 4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -3.8410 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -2.4990 6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -1.3700 8.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.7770 9.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -1.3140 8.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -2.4500 6.1750 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END