IBS-ZINC04040157 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 2.0920 -1.1410 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -1.1240 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -0.7510 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.8840 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -1.3120 -0.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.4880 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -1.4590 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.9040 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -1.9990 -2.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.2070 -3.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.6400 -4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -0.5970 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.3090 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -1.2920 3.6820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3740 -0.7180 4.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2260 -1.3820 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -0.6260 5.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -1.0570 5.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -1.0840 6.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -1.5000 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -1.9390 3.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -0.1250 7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -1.2870 8.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 0.1080 9.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -1.8930 10.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 0.6510 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 0.9330 3.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 2.3290 3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 2.8160 3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 1.7960 4.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.8470 2.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -2.1190 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -0.9420 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -0.3740 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.8520 -5.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -1.8520 -4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.5420 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 0.4270 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -1.2880 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -0.7220 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 0.3360 7.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 0.6150 7.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -1.7480 7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.0270 8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -0.4360 8.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 0.9570 8.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 0.4660 10.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -2.4990 10.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -2.5100 9.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -1.4930 11.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 0.2280 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 2.8950 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 3.8520 3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -2.2400 3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -0.7840 9.3300 N 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 M END