PUBCHEM-ZINC04858470 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.1060 1.1220 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.4000 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.8780 -0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -2.2190 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -3.0550 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -4.4010 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -4.9670 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -4.1180 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -2.7330 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -4.6900 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -6.0530 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -6.8390 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -6.2830 -0.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -8.6040 -0.3220 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -8.8340 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -9.7340 1.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -9.8010 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 -9.5370 2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8930 -8.2610 3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 -8.0180 4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7360 -9.0520 5.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 -10.3290 5.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 -10.5720 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -8.0010 -0.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 -6.5700 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -8.5390 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 -8.4710 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -9.3400 -2.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 1.4860 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.3910 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 1.5730 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.8510 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.6690 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.6260 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -5.0340 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -2.0780 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -4.0660 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -9.0500 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 -10.7920 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0540 -7.4530 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1410 -7.0210 5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 -8.8630 6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -11.1360 5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 -11.5700 3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -6.3660 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -6.0380 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 -9.5760 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7230 -7.9500 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -8.7820 -3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -7.4490 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -9.3480 -3.8830 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END