IFLAB-ZINC02472781 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3730 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 1.2190 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.0520 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4520 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 2.2350 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5900 3.4520 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 1.6620 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4370 -0.8360 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -2.0380 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -2.0040 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -3.1560 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3360 -2.8260 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -3.7950 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -4.1200 1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -4.1140 -0.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -4.8910 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -5.8770 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -6.8160 -1.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.8960 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -3.0940 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.7020 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -4.5300 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -5.4410 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -4.2300 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -6.4080 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -5.3340 -3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -7.4740 -2.4670 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 7 1 0 0 0 0 6 23 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END