B9K4ED -OEChem-04042107473D 43 45 0 0 0 0 0 0 0999 V2000 -4.5064 1.0238 0.8683 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 1.6083 -0.1923 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6728 -0.5537 0.5968 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9561 -1.2747 -0.5469 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1408 -1.6644 0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 1.1149 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 0.0117 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 2.4820 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 0.2962 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 2.6848 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5444 0.8775 -1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 1.8432 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -0.1666 -0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8992 0.7446 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 0.2181 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 -1.5016 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 -0.7500 1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -2.4697 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -2.0937 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3982 -0.3676 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0639 -2.0630 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 1.1129 0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0539 -0.0803 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -0.9583 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 3.2811 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5058 2.5726 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -0.5254 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 0.2269 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 3.6501 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 2.7430 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 0.5976 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 1.8089 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 1.8861 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 2.8125 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0323 0.7094 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 -0.2397 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4879 1.2615 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -1.8069 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9117 -0.4575 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9383 -3.5159 -0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -2.8475 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2811 -0.0114 1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0872 -2.9560 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 42 1 0 0 0 0 4 20 2 0 0 0 0 4 21 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$