IFLAB-ZINC04063233 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2080 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0140 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 1.3930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 3.5580 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 4.2420 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 5.7050 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 6.3060 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 6.3880 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 7.7760 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 8.5330 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 9.8440 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 10.2280 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 8.7820 0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 10.8170 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 10.3840 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 11.3230 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 12.6140 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 13.0640 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 12.1940 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -2.1640 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1690 -2.7800 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -2.7640 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5230 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.9360 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 4.0910 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 3.7090 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 5.9090 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 11.2480 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 9.3290 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8170 10.9980 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 14.1290 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 12.5690 0.0170 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 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 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 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 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END