PUBCHEM-ZINC02925088 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.1240 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.6090 3.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 0.1730 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 1.2870 3.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.3200 5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -1.5940 5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -1.9410 7.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -1.0230 7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.4070 6.4570 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -2.3230 5.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -1.8510 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -2.8500 3.3770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -4.3220 4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -5.3440 3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -6.2800 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -7.2180 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -7.2200 2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -6.2850 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -5.3500 4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -8.2240 2.4720 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1460 -9.0480 1.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 -8.2260 2.8820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.9610 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.5720 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.8970 7.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -1.1390 8.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -4.7420 4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -4.0480 5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -6.2780 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -7.9480 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -6.2870 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -4.6220 5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END