PUBCHEM-ZINC02972668 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.0580 1.3800 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.0480 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6620 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 0.0920 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -0.5340 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.9130 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.6730 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -2.0510 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -2.7970 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.2160 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -2.7060 0.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -3.9830 0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -1.7520 0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -2.9820 -1.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -3.9050 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 -4.2680 -3.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9910 -3.3600 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9860 -4.9800 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1910 -4.2970 -3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3220 -4.9920 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2130 -6.3350 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0500 -6.9530 -2.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 -6.3240 -2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -5.4840 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -6.4470 -6.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -5.8490 -6.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -5.5100 -5.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -4.5370 -4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 1.7420 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.7130 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 1.7760 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 1.1700 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 0.0560 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -3.7500 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -4.4940 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -4.5490 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -4.6900 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 -2.5320 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -3.4290 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -4.8100 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 -3.2470 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2770 -4.4920 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0890 -6.8840 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -6.8650 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 -4.5740 -6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 -5.9570 -5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -7.3770 -6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -6.6530 -7.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -6.4130 -5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -5.0390 -5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -4.3200 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -3.6120 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -5.1480 -4.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END