IFLAB-ZINC04479356 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1000 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5380 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -1.9140 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -2.6730 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -2.7550 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -3.1150 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -4.1470 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -4.8040 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -4.7640 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -6.1510 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 -6.8460 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -8.1730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -8.6250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -7.2340 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -9.0820 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1930 -8.7010 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -9.6510 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 -9.4960 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3650 -10.5860 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8360 -11.8690 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4720 -12.0510 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 -10.9480 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 -10.8380 -0.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0460 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -2.4060 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -3.6930 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -2.2120 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -3.7150 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -4.2400 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -9.6620 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9780 -8.5050 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4360 -10.4500 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4960 -12.7240 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0610 -13.0500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 M END