PUBCHEM-ZINC06027199 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -2.8910 1.6450 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 0.3140 2.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.3140 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -1.6310 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -2.3990 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -1.8440 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.5240 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 0.2420 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -0.1100 -2.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.2380 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -3.7440 -0.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 -4.4530 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 -3.7700 0.2060 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -5.8260 0.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -6.8280 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -7.1750 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -8.7670 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4290 -9.6360 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5550 -8.8460 -1.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3320 -8.2100 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 -7.2640 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -6.3490 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -6.8080 1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -7.9100 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -8.2950 3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -7.5570 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -6.4840 4.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -6.1270 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 1.9880 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 1.6840 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 2.3170 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.0410 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -2.4190 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 1.2610 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 1.4090 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9390 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 1.4170 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -4.2560 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -7.7410 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -6.4500 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -6.2950 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -7.7440 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -9.3750 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -7.9900 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6730 -10.1110 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2680 -10.4330 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2350 -7.6430 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1950 -8.9740 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2870 -6.4790 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 -6.8260 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -7.1790 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -5.6040 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -8.4680 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -9.1430 3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -7.8140 5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -5.2430 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -8.0480 -0.9630 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7110 -8.7750 -0.2560 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 11 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 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 22 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 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 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END