BO8BI7 -OEChem-04042103583D 43 45 0 1 0 0 0 0 0999 V2000 3.7999 -1.8407 -1.6259 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 0.2661 1.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 0.4887 0.5135 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -0.3857 -0.3744 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -1.4669 0.9311 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 1.0400 -0.0089 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1922 2.5338 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -0.9462 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 1.1988 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 3.3290 -0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 -1.1165 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 0.1394 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 0.2635 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 2.7844 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 4.8041 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5895 -2.2780 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 0.2696 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9704 -2.1601 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5756 -0.8959 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 -1.1790 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 -2.5787 -0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 -2.2697 0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 0.9349 -1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 2.6579 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 3.0437 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9819 -1.5678 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8883 -1.2281 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 1.6220 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 1.9787 0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 3.2703 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 3.5092 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 1.8844 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 2.5756 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 5.2223 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 5.3960 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 4.9316 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 -3.2538 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2753 1.2446 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5842 -3.0547 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -0.8262 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 -0.3102 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 -3.1832 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 -2.6072 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 4 41 1 0 0 0 0 5 20 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$