IFLAB-ZINC04346983 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 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 0.0220 -0.7200 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.4290 0.7000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -1.9930 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6950 -1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.9470 -2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.4780 -3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -3.3740 -4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -4.7340 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.2060 -2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -4.3210 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.1620 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 0.0070 3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 0.5490 4.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 0.7830 5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 0.5440 4.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 1.3260 6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 1.6080 7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 2.1040 8.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 2.1030 8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 1.6280 7.1080 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 -0.0150 -1.4160 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -3.0120 -5.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -5.4320 -5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -6.2700 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -4.6910 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.8480 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 0.8060 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 0.6920 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -0.9610 3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 0.7400 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 1.4760 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 2.4260 9.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 2.4280 9.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 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 M END