IBS-ZINC02115428 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.0730 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -0.5460 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -0.2860 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 0.3380 -1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.7720 -3.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5430 -1.7800 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 0.1600 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 0.9420 -5.4290 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 0.5160 -3.8290 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7230 1.2430 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -0.8150 -3.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 -1.6270 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -2.6820 -2.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6290 -1.0470 -3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 0.2810 -4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4430 1.0630 -4.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 0.5570 -4.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9870 -0.7400 -4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -1.5660 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1670 -2.8380 -3.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 -3.8670 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2560 -1.2280 -4.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2750 -0.3470 -4.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 1.2180 -4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -0.6460 -6.1870 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.0140 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -0.5060 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -1.0450 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 2.0760 -4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5420 1.1770 -4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 -3.8800 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8010 -3.6740 -5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 -4.8310 -3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2370 -0.8600 -4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0450 -0.0450 -5.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3210 0.5360 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 1.8150 -3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 1.8660 -5.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 0.7280 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -1.1870 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 0.0300 -7.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 -1.3560 -6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 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 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 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 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END