IFLAB-ZINC05143627 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 -1.2020 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1000 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -0.5420 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -1.9290 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -2.6720 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0290 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.7550 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -4.1780 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -2.5800 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 -1.9610 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 -2.9860 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -2.6340 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 -1.3400 0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 -0.4060 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 -0.7020 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 1.0190 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5930 1.3580 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 2.6840 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 3.6820 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6560 3.3480 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 2.0230 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3780 4.9880 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5010 -3.6760 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1930 -4.8510 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8010 -3.3190 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -4.1850 0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 -5.0700 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -3.9130 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -4.7470 0.0040 O 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 -2.3320 1.1800 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0350 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -3.7520 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -4.6340 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3440 0.5820 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0170 2.9470 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9070 4.1260 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 1.7640 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 5.3610 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0460 -2.3810 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4900 -4.0010 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M END