PUBCHEM-ZINC06078021 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.0720 1.5080 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.1260 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -0.5660 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 0.1310 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 1.5230 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 2.2040 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 2.2790 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 1.6090 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 0.1420 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -0.4690 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -1.8180 -0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -2.4680 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -1.7440 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8190 -2.3880 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 -3.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 -4.4850 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -3.8480 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -4.5860 -0.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 -6.1220 -0.0450 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -6.5410 -0.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 -6.8340 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -6.0080 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -5.8240 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -5.7340 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -5.8300 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 -6.0160 3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 -6.1100 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 -5.7340 5.9460 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3890 -5.5700 6.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -5.8180 6.5260 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7560 -0.5920 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -1.7980 -0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 2.0460 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -0.4110 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -1.6440 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 3.2820 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 2.3080 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 3.2980 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 2.0840 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 1.7260 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 0.1100 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -2.3270 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 -0.6760 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -1.8220 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8550 -4.2530 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 -5.5520 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -4.1980 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -5.7490 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 -5.5890 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4760 -6.0900 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3910 -6.2580 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END