IFLAB-ZINC04275188 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0240 1.5030 0.0110 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 0.1160 -0.6150 1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.6730 -1.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -2.1410 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -2.5390 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.7210 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -0.5800 -3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 0.0830 -4.8110 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -1.1930 -5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -2.0840 -3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -3.2610 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -4.1950 -3.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -1.3130 -6.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -0.3770 -7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 0.5720 -7.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -0.5050 -8.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 0.4650 -9.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 0.3460 -10.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4500 -0.7440 -10.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 -1.7140 -9.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -1.5980 -8.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 -0.8680 -11.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 -0.9660 -12.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.0420 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.8840 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.8590 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 1.8550 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -2.5450 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -2.5320 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -3.6000 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -2.3450 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -2.0700 -6.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 1.3080 -9.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 1.0960 -11.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1190 -2.5570 -9.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5770 -2.3500 -7.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 1.0960 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -0.0580 -2.9500 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 3 0 0 0 0 14 15 1 0 0 0 0 14 33 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 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 3 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END