IFLAB-ZINC02684906 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2160 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0820 4.1580 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 4.1920 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7020 -0.6810 -0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7460 -0.0520 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.8980 -0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2440 -2.4420 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.8790 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -4.3790 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -5.0820 -0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -4.9350 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -6.3860 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -6.8320 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -6.3310 -1.1320 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -8.2290 -0.0050 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -6.3420 1.1520 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.9730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.4730 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.4640 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -6.7670 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -6.7760 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 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 18 19 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END