IFLAB-ZINC04376832 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4040 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 1.3100 -0.3780 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 0.7380 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.7660 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -2.0030 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -3.2740 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -4.3490 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -5.6620 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -6.2170 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -5.3000 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -4.0870 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -2.7680 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -5.5910 -0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -7.4010 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -7.8160 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -6.9730 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -9.2420 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -9.6300 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -10.9680 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -11.9300 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -11.5520 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -10.2170 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -13.2410 -0.0230 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 2.0340 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6600 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.8450 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -1.1700 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 -3.4590 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -7.7910 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -7.7990 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -8.8830 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 -11.2700 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -12.3060 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -9.9240 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 M END