IFLAB-ZINC05251741 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 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 -3.2140 4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.6710 5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -4.6180 6.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -5.1080 6.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -4.6500 6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -3.7000 5.2200 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 2.2260 -3.2890 4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -4.9760 6.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -5.8490 7.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -5.0330 6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -3.3390 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 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 28 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 29 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 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 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 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END