IFLAB-ZINC04087193 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 1.9000 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 1.9010 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 1.5620 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 1.6700 2.8560 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 2.1750 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 2.2580 4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 2.6660 6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 3.8410 6.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 1.7400 6.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 2.4630 5.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 2.3490 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 1.9930 3.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 2.6530 5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9170 2.5760 5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7000 2.9170 6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0280 3.2620 7.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 3.1690 7.6080 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.1470 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.2250 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.0350 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.4410 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 2.9240 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.8040 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 2.0110 7.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 2.7460 6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3200 2.2770 4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7790 2.9080 6.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 3.5570 8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 0.0650 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 1.6320 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 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 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END