IFLAB-ZINC03961645 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.2110 0.7390 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -0.4060 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.9380 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -0.3640 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -0.8930 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -2.0260 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.6000 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -2.0560 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.6520 0.1580 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0360 -3.7040 -0.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.1290 0.5840 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8840 -2.5800 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -1.8750 0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -0.5860 0.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 0.1250 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1560 1.4420 0.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3290 1.9430 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3400 1.0160 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6820 -0.5560 0.6550 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 1.0640 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 1.5440 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 0.4800 3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 0.5010 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -0.4490 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -3.4660 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -3.5770 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -0.1300 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5040 3.0080 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3760 1.2470 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END