IFLAB-ZINC02700831 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 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 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -2.6270 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -2.8460 -1.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -3.9820 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -5.1250 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -6.1290 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -6.0120 -3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 -4.8840 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -3.8680 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 -2.5620 -3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -2.0430 -4.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7020 -0.7740 -4.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -1.9770 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5960 -0.9050 -1.6440 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 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.5870 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -2.0100 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -5.2280 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -7.0130 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -6.8030 -4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -4.7910 -5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 -0.4720 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 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 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 M END