PUBCHEM-ZINC02850511 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.0300 1.5070 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 0.0780 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.5750 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 0.1430 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.5290 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -1.9330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -2.6440 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -1.9700 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.6710 -0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -4.0960 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -2.6100 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -3.7820 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -4.2000 1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 -4.5730 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -5.7670 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 -6.5980 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -7.7760 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1950 -8.6190 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3470 -8.2910 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 -7.1180 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3190 -6.2690 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5170 -9.1970 1.5520 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.4640 -10.2300 2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5320 -8.9090 0.9440 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8440 0.2320 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -0.3500 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 1.5750 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 2.2600 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.9000 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.8660 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8430 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.2220 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -3.7240 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.4370 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -4.4070 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -4.5310 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 -2.2380 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 -3.9730 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -4.8330 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -8.0330 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1490 -9.5360 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3090 -6.8640 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3690 -5.3510 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 1.9040 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 3.3330 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 2.0580 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END