IFLAB-ZINC04139203 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -6.1120 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -6.8870 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -6.6300 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -5.8550 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -7.9580 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -8.4670 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1820 -7.8000 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -8.5330 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -9.8660 -0.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2990 -9.8060 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -10.7570 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -11.0690 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -11.9060 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -12.2730 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -11.5370 1.6600 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -11.7720 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 -12.3370 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3590 -11.4460 -1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3210 -10.1240 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 -9.5360 -1.1160 C 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -4.1640 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -8.5780 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -7.5360 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -8.9110 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -9.2000 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -10.6980 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -12.2370 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -12.9200 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -12.4190 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7730 -11.7190 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 -13.3130 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6090 -12.4410 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0540 -9.4990 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5510 -10.1630 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7120 -9.4470 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 -8.5510 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 -10.4240 -0.4940 N 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 17 1 0 0 0 0 15 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END