PUBCHEM-ZINC05820497 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -2.7100 1.9050 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 0.4870 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -0.5220 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -1.9470 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -2.9570 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -4.3830 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -5.3660 -0.5090 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7230 -5.1110 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -6.8260 -0.7530 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2070 -7.5210 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 -5.8550 -1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -7.4090 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -7.8600 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -7.8450 2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -9.2650 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -9.2530 3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -10.6730 4.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -10.6630 5.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8670 -12.0860 5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -12.0840 7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 -13.4710 7.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7410 -14.4620 6.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 2.6090 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 1.9960 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 2.2000 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 0.2350 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.4380 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -0.2630 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -0.4650 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -2.2050 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -2.0040 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -2.6980 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -2.9010 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -4.6280 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -4.4460 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -7.4830 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -8.2670 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 -7.2930 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -7.3080 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -9.8200 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -9.7980 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -8.7010 4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -8.7230 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -11.2240 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 -11.2020 4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0790 -10.1130 6.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 -10.1340 5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3030 -12.6360 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -12.6150 6.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4050 -11.5360 7.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7620 -11.5560 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0600 -13.4470 8.4930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 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 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 M CHG 1 52 -1 M END