PUBCHEM-ZINC00009689 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 0.3040 1.3370 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -0.0370 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.9160 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.7000 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 0.1980 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -0.4600 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -1.8180 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -2.7290 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.0860 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -2.4830 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -2.0800 0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 -3.5600 -1.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 -4.4380 -1.3940 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4770 -3.8550 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 -5.6760 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 -5.3710 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -4.9990 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 -4.7120 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 -4.7940 3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -5.1640 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -5.4510 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -5.0530 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -5.0650 -3.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 1.7420 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 2.0650 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 1.2730 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.1130 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -1.1910 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.8340 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -0.3930 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.8450 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 1.1400 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.4510 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -0.5740 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 0.2060 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -1.6610 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -2.9690 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -3.6870 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -1.9960 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.7720 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 -3.8070 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -6.3850 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 -6.2230 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2250 -4.9220 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8700 -4.4170 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 -4.5660 4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -5.2230 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -5.7300 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1540 -5.4610 -2.9220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 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 10 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 M CHG 1 49 -1 M END