IFLAB-ZINC04176598 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0050 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6800 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0300 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4170 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0880 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 2.1780 -0.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6270 3.3960 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 1.5860 -0.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5850 -0.6320 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -2.0600 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -2.6150 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 -1.8620 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -3.9490 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -4.4650 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 -3.8010 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -4.3130 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 -5.4850 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 -6.1480 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -5.6440 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1570 -7.4250 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 -7.9060 -2.2660 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0260 -7.1750 -2.8400 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -8.3790 -0.9220 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3540 -6.0310 -0.5530 N 0 3 0 0 0 0 0 0 0 0 0 0 11.2920 -5.4470 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5430 -7.0630 -1.1710 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.7600 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1680 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -2.4060 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -2.4010 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -4.5510 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 -2.8850 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 -3.7970 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -6.1650 -1.3380 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 25 1 M CHG 1 27 -1 M END