IBS-ZINC02072133 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 0.0330 -0.7200 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 0.0340 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 1.2360 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.6270 -1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -2.0950 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -2.6260 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.8930 -3.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.4250 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 0.1060 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -2.5650 -4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -3.8660 -4.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -4.3860 -5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -5.5900 -6.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -3.4030 -7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -3.6340 -8.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -2.5100 -9.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -1.3060 -8.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -0.2560 -9.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.3840 -11.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -1.5660 -11.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -2.6360 -10.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -3.7980 -11.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -3.8650 -10.9580 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -5.2000 -11.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -3.2380 -9.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.8470 -12.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -3.3880 -13.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -2.5890 -14.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -1.2510 -14.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -0.7100 -12.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -1.5100 -11.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -1.8430 -6.1990 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.9750 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.6340 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.0980 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -2.4060 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.4850 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -3.6890 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -2.4720 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -0.0350 -4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.1150 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 1.1680 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -0.0450 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -4.6440 -8.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -1.2020 -7.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.6710 -9.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.4450 -11.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.6560 -12.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -4.4330 -13.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -3.0110 -15.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -0.6270 -14.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 0.3360 -12.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -1.0880 -11.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END