PUBCHEM-ZINC06592214 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 70 0 0 1 0 0 0 0 0999 V2000 -0.1670 1.4070 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -0.0530 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -0.5190 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.9920 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -2.4610 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -3.9490 -2.9470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2510 -4.5400 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -4.4060 -3.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -5.3020 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -5.7420 -4.6570 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9090 -5.4270 -5.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 -7.2650 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 -7.4780 -5.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -6.2420 -5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 -6.0960 -5.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 -5.2020 -4.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7550 -4.2270 -4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 -5.1310 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 -4.4350 -2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 -4.2560 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 -3.5360 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4900 -3.3300 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8210 -2.6000 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 -2.3630 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4680 -2.7040 2.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3910 -1.7170 2.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9290 -1.3850 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2930 -0.7170 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8630 -0.3580 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2410 0.3100 4.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7430 0.5080 3.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -4.1820 -3.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 1.5660 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 2.0520 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 1.7200 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.6670 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.1850 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 0.0970 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -0.3760 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -2.6060 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -2.1310 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.8570 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -2.2750 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -3.9590 -4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -5.7420 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -7.6730 -3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -7.7700 -5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 -8.3830 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -7.4920 -6.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -4.5660 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 -6.1360 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2430 -5.0180 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 -3.4530 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 -3.6820 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 -5.2370 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 -4.1190 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -2.5640 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6930 -2.7550 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5370 -4.3000 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6280 -3.1820 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7790 -1.6260 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 -1.4630 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2120 -0.7250 3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -2.3100 3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9840 -1.3850 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2060 0.1880 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1760 0.3220 5.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9480 -1.2650 5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -3.6640 -4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7090 0.5850 5.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 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 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 2 0 0 0 0 30 70 1 0 0 0 0 32 69 1 0 0 0 0 M CHG 1 70 -1 M END