BA84EQ -OEChem-04022102173D 49 53 0 1 0 0 0 0 0999 V2000 5.4323 -1.5909 0.7847 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 3.4020 -0.6815 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 2.9463 -0.1552 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 -0.9256 1.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9356 -1.1390 0.1180 N 0 0 2 0 0 0 0 0 0 0 0 0 2.7879 -1.9382 -2.1175 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8135 0.3998 -0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -0.2075 -1.4584 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7964 0.8819 1.8758 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -2.2727 0.3981 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8063 -2.5891 -0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 -1.5193 -1.0422 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8098 -1.9609 1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.2678 0.2699 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8281 -0.7950 1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7509 -1.3287 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 -0.3110 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 -0.6125 -0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 -0.1375 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 0.3456 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 -0.3699 0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 1.1369 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0634 1.0148 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6773 1.5544 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9497 1.4421 1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1581 2.1786 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9343 0.6718 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6658 1.0452 -2.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5071 1.9460 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -3.1566 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 -3.5519 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 -2.7527 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 -0.6027 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 -1.6625 2.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -2.8595 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -2.1874 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -0.0184 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 -1.6709 1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 -2.3813 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -0.8827 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 -1.1892 -2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -2.1006 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1889 1.3424 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6384 2.0488 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4689 1.8913 2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9844 0.4909 0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0108 1.5796 -2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6379 1.5501 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8191 0.0280 -2.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 26 1 0 0 0 0 3 29 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 8 18 2 0 0 0 0 9 20 1 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 12 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 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 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 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 21 27 2 0 0 0 0 22 26 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 29 2 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$