PUBCHEM-ZINC05984594 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0600 1.7210 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.2760 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -0.7130 -2.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4740 -0.3490 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -2.0810 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -2.5790 -1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -3.8420 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -4.2840 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -3.0970 -1.1430 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -4.6740 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -5.8990 -0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -4.0560 -0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -4.8620 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 -4.7120 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -3.2360 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -2.4330 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -2.6390 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9770 -1.6480 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 -1.5490 3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -2.4180 3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 -3.8550 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 -3.9630 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 2.0400 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 1.8590 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 2.3830 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 0.2280 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -0.0090 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -5.2330 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -5.9200 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 -4.5230 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -5.1520 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 -5.2910 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 -2.8330 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -2.7300 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 -1.3600 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -2.1810 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -2.1340 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 -1.0690 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 -1.2780 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0090 -0.5060 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 -1.8490 4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6960 -2.0370 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -2.3720 4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5270 -4.4600 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0020 -4.2760 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 -3.6410 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 -5.0030 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 -3.0960 2.2400 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0270 -3.4320 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.7900 -3.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 0.1280 -3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -1.0450 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 50 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 28 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 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 48 1 M END