IFLAB-ZINC04249058 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.1890 1.8110 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 0.3340 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.4240 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -2.1530 -1.1650 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -1.7900 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.4550 -0.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -0.2670 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -1.5450 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -2.4970 -0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 -1.8980 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -0.9300 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 -1.3040 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.6480 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 -3.6350 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -3.2510 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -4.9710 0.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -6.1010 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -6.1500 0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -7.3780 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 -8.3760 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 -9.5790 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 -9.7740 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 -8.7980 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 -7.5950 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 -11.3360 1.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.5380 -11.4760 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7270 -12.2880 1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 -11.1240 2.4660 N 0 5 0 0 0 0 0 0 0 0 0 0 -10.4170 -10.4250 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 2.2440 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 2.2750 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 2.0780 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.0560 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 0.7110 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 0.1250 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 -0.5460 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 -2.9130 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -3.9960 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 -5.1040 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -8.2180 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -10.3540 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4100 -8.9740 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -6.8540 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 28 -1 M END