PUBCHEM-ZINC00746265 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.7750 1.2870 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.1650 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -0.6790 -0.7700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6470 -0.4290 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -2.1370 -0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -2.5400 -1.5490 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0190 -2.7200 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -1.3750 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 0.1340 -1.3650 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -3.7920 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -3.8170 -0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -4.9490 -0.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -6.2000 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -6.8560 -1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -9.0300 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -10.4300 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -10.3950 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -9.5260 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -8.1280 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -3.0700 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -4.2100 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -2.7260 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -3.0000 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -2.7190 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -2.1720 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -1.9460 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.2270 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -1.9000 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 1.5590 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 1.9800 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 1.4320 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.2910 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.7610 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -1.3580 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -1.4220 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -4.9100 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -6.8610 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -5.9900 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -6.2490 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -7.0150 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -9.0780 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -8.4920 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -10.9980 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 -10.9610 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 -10.0020 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 -11.4130 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6870 -9.4560 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -10.0020 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 -7.5840 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -7.5640 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -3.4290 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -2.9310 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -1.5540 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.0680 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -1.6220 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 -1.0690 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -2.7910 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -8.2250 -1.1850 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5020 -8.7340 -0.7330 H 0 0 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 39 1 0 0 0 0 14 40 1 0 0 0 0 14 58 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 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 58 1 0 0 0 0 20 21 2 0 0 0 0 20 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 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 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 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END