PUBCHEM-ZINC04760711 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.6290 2.8810 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 1.9090 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 2.6330 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 0.6690 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -0.2500 2.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1690 0.3030 3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -1.2460 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -2.4080 1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -0.9860 2.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -0.5370 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 0.5250 4.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -1.5000 3.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7600 -1.9930 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -2.5390 4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -3.5770 4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -4.8370 6.0490 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 -5.8100 5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -0.6620 3.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -0.9330 3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 -1.9180 2.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 0.0610 3.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2320 -0.1210 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 1.0510 4.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3540 2.1280 3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0440 3.2220 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3800 3.2540 5.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0270 2.1920 6.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3370 1.0970 5.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 3.2070 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 3.7730 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 2.4310 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 1.5930 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 2.9860 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 1.9690 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 3.5000 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 0.0750 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 1.0160 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -1.9110 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -3.0450 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 -2.0250 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -3.1010 5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -4.0750 3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -6.6450 6.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -5.1940 6.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -6.2130 4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 0.2020 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3530 -0.1760 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6110 -1.0510 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0900 2.1230 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3160 4.0530 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9150 4.1080 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2850 2.2210 7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0560 0.2810 6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -0.7880 1.9570 O 0 5 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 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 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 49 1 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 M CHG 1 54 -1 M END