IFLAB-ZINC04940605 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 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 -0.7120 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0970 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6980 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9910 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6550 -2.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -4.0030 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.6350 -1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -4.7230 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -6.1690 -3.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -6.9670 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -6.5190 -3.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -8.4000 -3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -9.4490 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -10.7350 -2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -11.0220 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -9.9990 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -8.7200 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -7.1650 -3.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -7.2180 -4.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -6.8210 -2.3340 O 0 0 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 -0.1960 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6780 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.1490 -3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -4.4570 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -4.4330 -4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -9.2440 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -11.5320 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -12.0350 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -10.2120 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 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 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 M END