IFLAB-ZINC04940815 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 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 -0.7120 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 3 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 1.2670 -4.3160 -4.5400 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 0.9950 -6.8700 -2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -6.3190 -2.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -8.3230 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -9.2890 -2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -10.6160 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -11.0250 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -10.0860 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -8.7670 -3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -7.2840 -3.9880 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -7.0320 -3.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -7.3600 -5.4060 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 1.2510 -3.2400 -4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -4.5820 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -4.8370 -5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -8.9890 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -11.3470 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -12.0690 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -10.3950 -3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 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 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 13 1 0 0 0 0 11 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 M END