PUBCHEM-ZINC06459112 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 67 0 0 1 0 0 0 0 0999 V2000 -0.1290 1.5210 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 0.5740 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -0.2110 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -0.9770 1.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -0.7890 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 0.3350 -0.3770 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -1.4730 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -1.2170 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6330 -1.8970 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 -2.8460 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -3.1150 1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -2.4340 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.2670 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 0.3630 2.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -1.1260 3.6400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5130 -2.0580 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.4500 4.8580 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4420 -1.1100 5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -0.3930 5.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -0.9870 5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -1.1260 6.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -1.5280 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -2.2360 3.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 0.1750 7.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -0.9140 8.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.3820 9.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.9080 11.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -2.0500 12.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -2.9830 13.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -3.5780 11.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -2.5170 10.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 0.8950 4.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 1.3410 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 2.7340 4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 3.0480 4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 1.9390 4.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 0.9870 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 2.0260 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 2.2940 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 -0.4850 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -1.6830 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8180 -3.3750 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 -3.8590 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -2.6670 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 0.6280 7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.9670 7.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -1.3000 7.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -1.7550 8.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -0.0030 9.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 0.4170 9.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.2280 11.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -0.3570 12.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -1.6510 13.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -2.5740 12.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -4.2930 12.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -4.1380 11.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -1.9790 11.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -2.9720 9.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 0.7360 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 3.4240 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 3.9660 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -1.4800 10.6190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.9650 10.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 62 63 1 0 0 0 0 M CHG 1 62 1 M END