PUBCHEM-ZINC00577453 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.2190 0.8680 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.4500 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.9030 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -0.0400 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 1.2840 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 1.7350 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -0.5330 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.7850 -1.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -1.8710 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -1.8530 -3.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -0.7070 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -0.0130 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 1.1880 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 1.6770 -3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 1.0000 -4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -0.2000 -4.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 1.5870 -5.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 1.0990 -6.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 0.0560 -7.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 2.0410 -7.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 1.5610 -9.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 2.5030 -10.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 3.5340 -9.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 1.2200 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -1.1270 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -1.9370 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 1.9760 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 2.7620 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 0.1950 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -1.4700 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -2.6380 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 1.7270 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 2.6110 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -0.7640 -5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 2.4640 -5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8780 3.0280 -7.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 2.1400 -7.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9080 0.5730 -9.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 1.4480 -9.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 2.1260 -11.3540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 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 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 M CHG 1 40 -1 M END