PUBCHEM-ZINC03746359 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0720 1.5050 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.0010 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.5390 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -1.9000 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -2.8050 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -4.1820 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -4.6190 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -3.7480 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -2.3660 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -4.5370 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -5.8650 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -5.8880 0.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -6.7290 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 -7.0890 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -8.0490 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -9.2170 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 -9.4370 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2480 -8.4860 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -7.3170 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -10.6120 0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 -10.7890 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -12.0550 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3160 -13.2710 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9860 -14.4430 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9770 -14.4120 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2970 -13.2100 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6280 -12.0370 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -4.0120 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 -3.7660 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 -4.2690 -2.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 1.9690 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.7600 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.9370 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.4070 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -0.2260 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -2.4750 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -4.8820 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -1.6630 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -7.8840 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -9.9520 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -8.6160 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -6.5810 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 -10.8750 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6070 -9.9470 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5380 -13.3140 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7310 -15.3820 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4960 -15.3250 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0650 -13.1880 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8770 -11.1070 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 -4.7000 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -3.0690 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -3.0680 -1.6180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 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 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 M CHG 1 52 -1 M END