PUBCHEM-ZINC04556678 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 43 0 0 1 0 0 0 0 0999 V2000 0.5570 -1.4700 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.7140 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 0.7340 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -0.7290 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -2.1110 0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5120 -2.8320 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -1.8780 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -1.9140 1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.6680 1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -3.4580 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.8120 0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -3.9260 2.7830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4790 -3.0640 3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -5.0150 3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -5.1370 4.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -6.1440 5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -6.1420 6.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -1.3990 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.5330 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.0610 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -1.1730 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 1.2860 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.7670 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 1.2600 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.0790 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -0.2610 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -2.4220 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -4.7930 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -5.9850 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -5.4470 5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -4.1560 5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -5.8980 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -7.1480 4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -6.4430 7.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -5.1660 7.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -1.7190 -0.5830 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9890 -7.1190 6.9960 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2270 -7.0920 7.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -8.0860 6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -6.9180 6.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -4.4690 2.7890 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1530 -4.9160 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -3.7180 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -5.1420 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 27 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 14 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 41 1 M END