IBS-ZINC05425977 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -2.3970 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.7690 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5960 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.0510 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.6790 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -6.3450 -0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -6.8940 0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -6.6000 0.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -6.8240 -1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -7.1930 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -8.6720 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -8.9840 -3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -10.1400 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -10.4920 -4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 -9.6830 -4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -8.5320 -3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -8.1790 -3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -6.9030 -2.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2010 -6.8810 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -5.7100 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 -10.0220 -4.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0870 -9.1420 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -11.6240 -5.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -12.4040 -5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -1.7520 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.1970 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.6980 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.2540 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -6.5920 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -7.0290 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -8.9160 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -9.2750 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -10.7680 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -7.9020 -3.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -5.7300 -3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 -5.7690 -3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -4.7840 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 -9.5280 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 -9.0740 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -8.1520 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -12.7300 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -13.2770 -6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -11.8020 -6.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END