@MOLECULE FDBD02346 47 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1400 1.4269 -1.4493 C.3 1 UNK 0.0131 2 C1 0.1297 -0.0535 -1.1678 C.2 1 UNK 0.2243 3 O 1.1754 -0.6561 -1.0536 O.2 1 UNK -0.2751 4 N -1.0421 -0.7076 -1.0429 N.am 1 UNK -0.1930 5 C2 -1.0187 -2.0972 -0.8930 C.ar 1 UNK 0.0502 6 C3 0.1851 -2.7883 -0.8731 C.ar 1 UNK -0.0391 7 C4 0.1869 -4.1615 -0.7236 C.ar 1 UNK -0.0532 8 C5 -1.0044 -4.8517 -0.5935 C.ar 1 UNK 0.0073 9 C6 -2.2076 -4.1669 -0.6126 C.ar 1 UNK -0.0485 10 C7 -2.2116 -2.7990 -0.7615 C.ar 1 UNK -0.0063 11 C8 -3.5036 -2.0156 -0.7867 C.3 1 UNK 0.0592 12 N1 -3.3953 -0.5559 -0.9503 N.am 1 UNK -0.2154 13 C9 -2.1769 0.0033 -1.0625 C.2 1 UNK 0.3296 14 O1 -2.1030 1.2089 -1.1965 O.2 1 UNK -0.2503 15 N2 -4.5183 0.2211 -0.9832 N.3 1 UNK -0.2320 16 C10 -4.6892 0.9530 0.2790 C.3 1 UNK 0.0404 17 C11 -5.9353 1.7973 0.2053 C.ar 1 UNK -0.0139 18 C12 -5.8753 3.0971 -0.2741 C.ar 1 UNK -0.0544 19 C13 -7.0468 3.8367 -0.3238 C.ar 1 UNK -0.0433 20 C14 -8.2273 3.2581 0.1032 C.ar 1 UNK 0.0276 21 N3 -8.2467 2.0191 0.5537 N.ar 1 UNK -0.2629 22 C15 -7.1530 1.2841 0.6094 C.ar 1 UNK 0.0320 23 C16 -0.9930 -6.3499 -0.4313 C.3 1 UNK 0.3230 24 C17 -0.5199 -6.7066 0.9794 C.3 1 UNK 0.4362 25 F -1.3145 -6.0421 1.9197 F 1 UNK -0.1666 26 F1 -0.6268 -8.0882 1.1717 F 1 UNK -0.1666 27 F2 0.8141 -6.3157 1.1366 F 1 UNK -0.1666 28 C18 -2.4051 -6.8972 -0.6492 C.3 1 UNK 0.4362 29 F3 -2.8950 -6.4468 -1.8798 F 1 UNK -0.1666 30 F4 -2.3689 -8.2958 -0.6454 F 1 UNK -0.1666 31 F5 -3.2425 -6.4496 0.3782 F 1 UNK -0.1666 32 F6 -0.1239 -6.9142 -1.3712 F 1 UNK -0.2177 33 H 1.1512 1.7704 -1.5151 H 1 UNK 0.0323 34 H1 -0.3616 1.9439 -0.6581 H 1 UNK 0.0323 35 H2 -0.3623 1.6175 -2.3746 H 1 UNK 0.0323 36 H3 1.0765 -2.2774 -0.9698 H 1 UNK 0.0636 37 H4 1.0819 -4.6751 -0.7089 H 1 UNK 0.0622 38 H5 -3.0976 -4.6802 -0.5156 H 1 UNK 0.0625 39 H6 -4.0117 -2.2005 0.1367 H 1 UNK 0.0530 40 H7 -4.0192 -2.3564 -1.6601 H 1 UNK 0.0530 41 H8 -5.3319 -0.3748 -1.1360 H 1 UNK 0.1449 42 H9 -3.8404 1.5834 0.4435 H 1 UNK 0.0490 43 H10 -4.7777 0.2562 1.0862 H 1 UNK 0.0490 44 H11 -4.9799 3.5042 -0.5864 H 1 UNK 0.0622 45 H12 -7.0376 4.8070 -0.6752 H 1 UNK 0.0633 46 H13 -9.1036 3.8022 0.0690 H 1 UNK 0.0829 47 H14 -7.2073 0.3146 0.9588 H 1 UNK 0.0833 @BOND 1 1 2 1 2 2 3 2 3 2 4 am 4 4 13 am 5 4 5 1 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 8 23 1 12 9 10 ar 13 10 11 1 14 11 12 1 15 12 13 am 16 12 15 1 17 13 14 2 18 15 16 1 19 16 17 1 20 17 22 ar 21 17 18 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 23 24 1 27 23 28 1 28 23 32 1 29 24 25 1 30 24 26 1 31 24 27 1 32 28 29 1 33 28 30 1 34 28 31 1 35 1 33 1 36 1 34 1 37 1 35 1 38 6 36 1 39 7 37 1 40 9 38 1 41 11 39 1 42 11 40 1 43 15 41 1 44 16 42 1 45 16 43 1 46 18 44 1 47 19 45 1 48 20 46 1 49 22 47 1