IFLAB-ZINC04393616 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0810 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0690 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0750 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -5.0300 1.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9860 -4.8460 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -4.7480 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -6.4240 2.5900 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -6.4820 2.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -6.8470 3.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -7.2500 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -6.4540 0.6030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0030 -6.9760 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.2550 -0.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -4.9420 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -4.4910 -2.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -7.2750 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -6.9580 -3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -7.9660 -4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -9.2900 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -9.6080 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -8.6050 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -10.3680 -4.7230 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0860 -10.0890 -5.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -11.5340 -4.3720 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6240 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6020 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2730 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5150 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0200 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -4.1140 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -4.2940 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -8.2950 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -7.1640 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -5.9250 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -7.7210 -5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -10.6430 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -8.8540 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END