PUBCHEM-ZINC03872461 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 68 0 0 1 0 0 0 0 0999 V2000 -0.7300 0.4920 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -0.8900 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -1.8800 2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -1.3400 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -2.7020 0.4890 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0410 -3.4850 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -3.0550 0.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6090 -2.3790 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -4.4960 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -5.1590 0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -4.9320 -1.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -6.2410 -1.6660 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0980 -6.9330 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -6.2300 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -6.0050 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -5.2000 -3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -6.7480 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -5.9870 -2.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -8.1120 -2.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -8.8500 -2.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3010 -8.2170 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -9.2920 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -8.1090 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -10.0810 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -10.0740 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -10.3900 -3.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -10.7460 -3.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -11.9810 -4.6880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0950 -11.7000 -5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -12.5420 -5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -11.4740 -5.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -11.7010 -6.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -13.1550 -3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -13.3880 -2.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -2.9110 1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 0.8490 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 1.2250 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 0.4700 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -0.7940 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -1.4980 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.0570 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.8420 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -1.3740 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -0.5680 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -4.2850 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -7.2190 -3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -5.0010 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -6.1190 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 -6.7340 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -5.3720 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -5.2660 -4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -4.1760 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -8.6870 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -9.9570 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -7.4510 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -8.4640 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -7.5170 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -10.9680 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -10.4240 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -9.4710 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -10.3780 -3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -13.0340 -4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -13.3140 -5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -3.5230 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -10.4920 -4.8310 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0800 -13.7810 -4.6550 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0190 -2.7160 -0.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.8140 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -1.8110 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 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 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 67 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 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 61 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 35 64 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 M CHG 1 65 -1 M CHG 1 66 -1 M END