IFLAB-ZINC01794692 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0410 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -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 3.6480 2.1890 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6040 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.4070 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1600 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.7480 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8560 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -4.3210 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -4.8580 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -6.3220 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -7.0180 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -6.4300 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -8.4960 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -9.1740 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -10.5540 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -11.2650 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -10.5990 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -9.2200 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -11.3670 -0.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8080 -12.5850 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -10.7820 0.0070 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.4780 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.3870 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -4.6700 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -4.6790 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -4.5080 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -4.5000 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -6.7920 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -8.6200 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -11.0800 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -12.3450 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -8.7010 0.0130 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 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 12 13 1 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 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 24 1 M CHG 1 26 -1 M END