PUBCHEM-ZINC05887332 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.2510 1.5800 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 0.0720 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.4870 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.6150 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.1040 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -2.6790 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -3.9650 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -4.6990 -0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -4.3910 -0.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9260 -4.0110 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 -3.8160 -1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 -3.9250 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3860 -3.2940 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6000 -4.0490 -3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -3.4670 -5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -2.1240 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3450 -1.3630 -3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 -1.9430 -2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -5.8490 -0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -6.3280 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -6.5810 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -6.0780 0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -8.1030 0.0790 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2490 -8.3500 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -8.7150 -1.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2100 -8.6550 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 -10.1810 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -10.3520 -1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 -7.9800 -2.7110 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -8.6030 1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 2.0900 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 2.0070 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 1.8060 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.0880 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.4110 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.5380 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 0.0630 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -0.4760 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -0.1190 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -2.2710 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -2.6630 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -2.1280 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -2.7590 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -4.3210 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -4.9720 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0870 -3.4400 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3090 -5.0970 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3470 -4.0660 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0110 -1.6690 -5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6340 -0.3150 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 -1.3350 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -8.6400 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -8.1130 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -11.0390 -1.1760 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 1 54 -1 M END