PUBCHEM-ZINC06055432 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8180 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.0790 -2.9260 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1300 -2.2590 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -2.8670 -3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -4.0450 -3.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -4.6970 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -4.1430 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -5.2010 -1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -6.3370 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -7.3600 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -8.5470 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -9.5260 0.4080 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9490 -9.5440 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -10.5880 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -11.2050 1.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -11.9900 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -10.5210 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -2.2340 -4.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -1.0420 -5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 -0.5140 -5.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -0.4140 -5.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 0.4460 -5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -0.9620 -4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -0.3900 -4.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -2.8680 -4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2170 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7630 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -5.1890 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -5.9890 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -6.8030 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -7.7080 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -6.8940 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -8.1980 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -9.0130 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -8.8450 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -10.8800 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -10.7560 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 -2.5510 -3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -2.5740 -5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -3.9520 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M CHG 1 9 1 M CHG 1 19 1 M END