IBS-ZINC02139972 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 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 0.7420 -0.5110 1.2420 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 -2.1190 -0.0610 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -0.4060 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -1.1060 0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 0.0800 2.6820 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8400 1.1190 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -0.7990 3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -0.9200 4.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 -0.9670 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -0.0360 2.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 0.6000 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 1.3460 0.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 0.4090 1.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3530 1.1270 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8190 0.7910 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6550 1.5540 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0000 1.2460 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5090 0.1750 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6730 -0.5870 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3290 -0.2760 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 0.0240 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -0.7450 -1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.9260 -1.2650 O 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 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 -1.6490 0.4990 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -1.7790 3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 -0.3070 4.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -1.8390 5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 -0.0490 5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -1.9760 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 -0.6310 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2160 2.1990 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9730 0.8360 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2580 2.3900 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6540 1.8420 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5600 -0.0660 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0710 -1.4240 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6760 -0.8700 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -2.3180 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.3430 -1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 1.6300 -1.3670 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 4 1 0 0 0 0 2 24 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 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 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M END