PUBCHEM-ZINC05493820 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 1.3660 -0.9780 -5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.0980 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -2.1560 -3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -3.1830 -2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -4.1510 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -4.0920 -3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -3.0630 -4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -5.4610 -1.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -6.5500 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -5.5540 -0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -4.9760 -0.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -4.7410 -1.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4150 -4.5010 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -3.5730 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -2.3140 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.7990 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -0.6480 -0.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -0.0980 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -0.3880 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -1.4230 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -1.4240 -3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -0.4200 -4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 0.6020 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 0.6260 -2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -5.9810 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -6.8200 -0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -6.1560 -2.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -5.2040 -3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -5.9790 -4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -7.0800 -4.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9490 -7.8320 -5.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -8.9390 -5.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 -9.9140 -4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 -9.1640 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -8.0550 -3.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4830 -8.4930 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 -7.3060 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -6.4950 -4.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -1.2380 -5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.8220 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -0.0630 -4.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -1.4000 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -3.2300 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -4.8490 -4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -3.0140 -5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -4.8470 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -3.4410 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -3.7850 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -2.2290 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -2.2160 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -0.4220 -5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 1.3880 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.4250 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -4.6820 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -4.4840 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -5.2990 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -6.4280 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 -7.1380 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -8.2730 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9670 -8.4990 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 -9.4730 -6.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3410 -10.7050 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -10.3520 -4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4730 -8.7260 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -9.8590 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -7.9730 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -6.9560 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 -5.8670 -4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END