PUBCHEM-ZINC03870370 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 0.0730 1.2400 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.0850 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -0.8470 0.7810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9890 -1.7100 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -2.1400 1.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0600 -3.1270 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -1.2510 -0.5150 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -2.2840 1.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2300 -1.3030 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -3.2080 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -4.4200 1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -2.5530 0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -3.2550 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -2.3060 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -1.4190 -1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -0.5320 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 -0.5210 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9360 -1.3950 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -2.2830 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -2.9000 3.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -2.5910 4.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -1.8210 4.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -3.2890 5.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -2.3550 6.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -2.3430 7.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -1.5110 8.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.6860 8.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -0.6950 7.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -1.5280 6.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -0.1370 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -0.7310 2.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.1130 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 1.9890 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.6660 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 1.1300 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -1.5600 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -3.8260 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 -3.9820 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -1.4150 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 0.1510 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1670 0.1700 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9830 -1.3850 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -2.9550 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -3.5860 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -3.7680 6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -4.0940 5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -2.9830 8.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -1.5080 9.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -0.0380 9.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.0560 6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -1.5190 5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 0.8040 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -0.8290 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 0.5370 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -1.3610 1.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -1.9060 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 0.9070 1.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 55 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 55 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 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 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 57 -1 M END