PUBCHEM-ZINC05091636 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 54 0 0 1 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 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0810 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0130 -2.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 0.3790 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -0.0260 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.3670 -4.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3120 2.1000 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 2.2610 -5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 3.5390 -4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 4.7600 -4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 5.8020 -4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 5.5790 -4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 4.3300 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 3.3110 -4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.9510 -5.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 0.8250 -4.4430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5170 -0.0520 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 0.4130 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 0.4280 -2.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 1.8080 -6.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.9190 -6.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 1.7350 -7.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 1.4800 -8.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.4150 -8.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.5790 -7.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8290 2.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0670 -2.2240 3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.0470 2.4620 O 0 5 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 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8520 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6190 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 2.3700 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 4.9190 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 6.7850 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 6.3880 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 4.1640 -4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.8580 -5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 1.7870 -7.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 1.3300 -9.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 1.2350 -9.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 1.5270 -7.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 31 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 39 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END