IFLAB-ZINC04569458 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.1940 1.3730 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.1340 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -0.8330 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -2.2150 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.8980 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.1990 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.8170 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -4.4050 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -4.8870 -0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -6.2100 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -7.0040 -0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -6.7010 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -5.9130 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -8.0200 -0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -8.4930 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -10.0220 -0.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9560 -10.3940 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -10.5620 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -11.7870 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 -11.2950 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 -10.5060 -0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -10.2140 1.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 -11.3320 1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -9.7910 2.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 -8.8310 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1580 -8.9020 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7520 -7.6800 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 -6.6160 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 -7.1450 0.9440 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 1.7310 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 1.7460 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 1.7340 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -0.2990 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -2.7620 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.7330 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.2700 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.7650 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -4.7770 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -4.2530 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -8.6560 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -8.1180 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -8.1290 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -9.8170 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -10.8710 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -11.9910 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -12.6650 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 -10.6680 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 -12.1430 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 -9.8420 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7250 -7.5940 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3340 -5.5870 0.0990 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 M END