B72JOP -OEChem-04022106003D 39 43 0 0 0 0 0 0 0999 V2000 -5.8608 -3.1194 -0.0025 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 -1.0133 -0.0035 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9642 1.1895 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 -0.0854 3.4953 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 -0.0693 -3.4964 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5512 -0.5135 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 0.8658 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 -1.1286 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 1.7036 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 -0.2960 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 1.1330 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5971 0.0405 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 -2.5363 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 -0.9680 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 3.0999 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9006 2.0496 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0277 -0.1444 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1641 -3.1470 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -2.3651 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 3.9588 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 3.4350 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 -0.2367 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 -0.2309 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -0.4153 1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -0.4097 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 -0.5019 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 -0.1532 2.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0528 -0.1417 -2.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9842 -1.9923 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 -3.1645 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1455 -0.4007 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 3.5282 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 1.7043 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -4.2320 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 5.0341 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5593 4.1025 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -0.4894 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6616 -0.4795 -2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 -0.6411 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 29 1 0 0 0 0 3 7 1 0 0 0 0 3 12 2 0 0 0 0 4 27 3 0 0 0 0 5 28 3 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 19 2 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$