IFLAB-ZINC05250770 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5250 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0040 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -2.0640 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -2.5710 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -3.8990 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -4.6750 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -4.4160 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -3.6400 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 -5.7440 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -6.2290 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -5.5340 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2940 -6.0160 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 -7.1900 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4870 -7.8840 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 -7.4110 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9180 -7.7030 0.4820 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.8420 -7.0920 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1320 -8.7370 1.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.9020 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8890 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.8740 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.3540 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.3680 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.1850 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.1700 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -2.4130 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -2.4270 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -1.9500 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -6.3630 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8170 -4.6160 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1140 -5.4750 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6790 -8.8010 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 -7.9560 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END