PUBCHEM-ZINC04687451 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.3660 1.4700 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -0.0460 -0.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1420 -0.5400 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.4250 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -1.8590 1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -2.1820 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -1.8750 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -0.4830 -1.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 0.5640 -2.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 1.7930 -1.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.1090 -3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 0.6870 -3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.6250 -4.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.1340 -5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 1.9940 -6.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 3.3440 -6.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 3.8350 -5.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 2.9740 -4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.2760 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -3.6030 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -4.0130 3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -3.1040 4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -1.7820 4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -1.3650 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -3.5470 6.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5770 -4.7110 6.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -2.7480 6.9090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5980 1.9650 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 1.7520 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 1.7750 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 0.1520 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.2090 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -1.5800 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -3.2390 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -2.0030 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.5470 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.2990 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 1.0700 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 0.0790 -5.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 1.6110 -7.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 4.0160 -7.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 4.8900 -5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 3.3570 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -4.3140 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -5.0440 3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -1.0750 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -0.3320 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END