PUBCHEM-ZINC06418453 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.6560 1.5160 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 0.0020 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -0.4790 -1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.8990 -0.9110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7770 -2.1360 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -2.2610 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -1.7800 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -2.6260 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 -2.1720 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -0.8680 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 -0.0160 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -0.4700 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 -0.5540 0.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 0.7700 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 0.8980 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 2.2160 1.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7770 3.2910 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 3.4160 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7910 4.6530 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 5.7330 3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 5.6000 2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 4.3620 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3450 3.9060 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 2.5660 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6140 1.8230 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5580 2.4590 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9000 3.7910 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 4.5240 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -2.7150 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -2.9360 -2.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 1.9330 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 1.8380 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 1.9350 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -0.3020 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -0.3930 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -3.3480 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -1.8240 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -3.6430 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 -2.8420 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 1.0060 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 0.2080 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4110 0.9480 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4610 1.5050 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2890 0.6970 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2140 0.1480 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 2.5830 3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 4.7710 4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 6.6870 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 6.4500 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3590 0.7830 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0310 1.9020 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6360 4.2670 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5720 5.5650 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -3.0770 -0.5660 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 M CHG 1 54 -1 M END