PUBCHEM-ZINC05187311 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 0.5370 0.2580 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.9060 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.5400 2.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 2.2960 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 2.8110 3.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 3.7700 3.6220 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 4.1370 5.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 4.9630 5.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9860 4.5060 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0700 5.8240 5.3400 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 6.9200 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 6.3390 5.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9290 8.2970 5.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 8.8070 5.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0600 9.0420 5.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3020 8.5330 5.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.4550 7.5340 5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1220 9.1250 5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9470 10.3900 5.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7650 10.9860 5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0530 10.8540 5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 0.2110 2.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 0.1840 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 0.1760 4.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.8230 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 0.6620 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.4130 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 1.5000 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 3.1370 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 1.6500 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 1.9670 4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 3.4490 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 3.1970 5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 4.6750 5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3330 3.4880 5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -0.2740 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 0.9350 0.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 37 2 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 3 0 0 0 0 M CHG 1 16 1 M END