PUBCHEM-ZINC05976180 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.1730 0.9240 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.3810 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 1.5380 -2.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 1.6080 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 2.0060 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 2.0480 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 2.2700 -2.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 1.7510 -0.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 1.5100 0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9920 0.4760 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 2.4840 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 3.8730 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 4.7530 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 4.2590 3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 2.8890 3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 2.0000 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 2.4480 4.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 1.6600 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 0.2650 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 -1.1490 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4320 -0.9780 1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0640 0.1840 1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9730 0.2080 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 2.2390 -3.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 0.0780 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 1.7350 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 0.5920 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 4.2880 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 5.8240 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 4.9400 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 0.9310 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 1.4800 4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 1.9420 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 2.3910 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 0.0180 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -0.4980 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 -1.8590 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 -1.4380 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 -1.8520 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2980 -0.8270 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.8620 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 0.1960 0.9370 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1490 0.8440 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2270 0.4930 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 24 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END