@MOLECULE FDBD02237 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.5226 1.3010 -6.7749 C.2 1 UNK -0.1023 2 C1 -1.1263 0.5431 -5.8932 C.2 1 UNK -0.0867 3 C2 -1.9517 -0.6324 -6.3493 C.3 1 UNK -0.0064 4 C3 -1.4619 -1.8844 -5.6684 C.2 1 UNK 0.0013 5 C4 -1.9941 -2.3786 -4.5598 C.2 1 UNK -0.0255 6 C5 -3.1576 -1.7698 -3.8204 C.3 1 UNK -0.0397 7 C6 -1.2730 -3.6355 -4.1419 C.3 1 UNK 0.1315 8 C7 -0.1746 -3.8517 -5.1979 C.3 1 UNK 0.0512 9 C8 -0.3518 -2.6945 -6.1576 C.2 1 UNK 0.1634 10 O 0.3133 -2.4762 -7.1486 O.2 1 UNK -0.2922 11 O1 -2.1904 -4.7609 -4.1316 O.3 1 UNK -0.4562 12 C9 -1.9396 -5.7435 -3.2522 C.2 1 UNK 0.3119 13 O2 -0.9850 -5.6659 -2.5156 O.2 1 UNK -0.2505 14 C10 -2.8485 -6.9436 -3.1838 C.3 1 UNK 0.0688 15 C11 -2.2384 -8.2662 -2.7154 C.3 1 UNK -0.0033 16 C12 -3.1096 -9.1827 -1.8956 C.2 1 UNK -0.0809 17 C13 -2.5921 -10.2436 -1.3276 C.2 1 UNK -0.0793 18 C14 -1.1255 -10.5476 -1.4939 C.3 1 UNK -0.0440 19 C15 -3.4633 -11.1601 -0.5078 C.3 1 UNK -0.0440 20 C16 -2.6060 -8.0717 -4.1885 C.3 1 UNK -0.0144 21 C17 -3.8298 -8.8230 -4.7164 C.3 1 UNK -0.0585 22 C18 -1.4589 -7.8954 -5.1855 C.3 1 UNK -0.0585 23 H 0.0426 2.1060 -6.4626 H 1 UNK 0.0532 24 H1 -0.6123 1.0930 -7.7817 H 1 UNK 0.0532 25 H2 -1.0366 0.7510 -4.8863 H 1 UNK 0.0570 26 H3 -1.8590 -0.7434 -7.4095 H 1 UNK 0.0356 27 H4 -2.9782 -0.4671 -6.0964 H 1 UNK 0.0356 28 H5 -3.4798 -0.8852 -4.3289 H 1 UNK 0.0276 29 H6 -2.8558 -1.5191 -2.8249 H 1 UNK 0.0276 30 H7 -3.9633 -2.4729 -3.7824 H 1 UNK 0.0276 31 H8 -0.8647 -3.5509 -3.1565 H 1 UNK 0.0786 32 H9 -0.3100 -4.7864 -5.7009 H 1 UNK 0.0385 33 H10 0.8056 -3.8839 -4.7701 H 1 UNK 0.0385 34 H11 -3.6949 -6.3561 -2.8950 H 1 UNK 0.0425 35 H12 -1.3509 -8.5457 -2.1871 H 1 UNK 0.0356 36 H13 -4.1139 -8.9745 -1.7817 H 1 UNK 0.0575 37 H14 -0.6718 -9.7937 -2.1027 H 1 UNK 0.0274 38 H15 -1.0101 -11.5022 -1.9633 H 1 UNK 0.0274 39 H16 -0.6533 -10.5628 -0.5339 H 1 UNK 0.0274 40 H17 -4.4664 -10.7878 -0.5020 H 1 UNK 0.0274 41 H18 -3.0926 -11.2019 0.4951 H 1 UNK 0.0274 42 H19 -3.4494 -12.1413 -0.9343 H 1 UNK 0.0274 43 H20 -4.5676 -8.8901 -3.9443 H 1 UNK 0.0235 44 H21 -3.5405 -9.8075 -5.0198 H 1 UNK 0.0235 45 H22 -4.2372 -8.2969 -5.5543 H 1 UNK 0.0235 46 H23 -0.6588 -7.3608 -4.7177 H 1 UNK 0.0235 47 H24 -1.8062 -7.3458 -6.0353 H 1 UNK 0.0235 48 H25 -1.1095 -8.8563 -5.5008 H 1 UNK 0.0235 @BOND 1 1 2 2 2 2 3 1 3 3 4 1 4 4 9 1 5 4 5 2 6 5 6 1 7 5 7 1 8 7 8 1 9 7 11 1 10 8 9 1 11 9 10 2 12 11 12 1 13 12 13 2 14 12 14 1 15 14 20 1 16 14 15 1 17 15 16 1 18 15 20 1 19 16 17 2 20 17 18 1 21 17 19 1 22 20 21 1 23 20 22 1 24 1 23 1 25 1 24 1 26 2 25 1 27 3 26 1 28 3 27 1 29 6 28 1 30 6 29 1 31 6 30 1 32 7 31 1 33 8 32 1 34 8 33 1 35 14 34 1 36 15 35 1 37 16 36 1 38 18 37 1 39 18 38 1 40 18 39 1 41 19 40 1 42 19 41 1 43 19 42 1 44 21 43 1 45 21 44 1 46 21 45 1 47 22 46 1 48 22 47 1 49 22 48 1