@MOLECULE FDBD02275 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2251 -7.5580 5.5323 C.2 1 UNK -0.1022 2 C1 -2.7812 -7.0314 6.6466 C.2 1 UNK -0.0839 3 C2 -1.4120 -7.3965 7.1596 C.3 1 UNK 0.0234 4 C3 -0.6034 -6.1423 7.3697 C.ar 1 UNK 0.1091 5 C4 -0.5441 -5.4258 8.5066 C.ar 1 UNK -0.0200 6 C5 0.3261 -4.3389 8.2608 C.ar 1 UNK -0.0170 7 C6 0.7465 -4.4563 6.9884 C.ar 1 UNK 0.1426 8 C7 1.6930 -3.5195 6.2830 C.3 1 UNK 0.1498 9 O 3.0583 -3.9743 6.4768 O.3 1 UNK -0.4565 10 C8 4.0304 -3.2441 5.9080 C.2 1 UNK 0.3117 11 O1 3.7498 -2.2577 5.2692 O.2 1 UNK -0.2505 12 C9 5.4717 -3.6548 6.0659 C.3 1 UNK 0.0688 13 C10 6.4735 -2.5734 6.4757 C.3 1 UNK -0.0033 14 C11 5.9434 -1.1792 6.6904 C.2 1 UNK -0.0809 15 C12 6.7746 -0.1837 6.8756 C.2 1 UNK -0.0793 16 C13 8.2608 -0.4328 6.8740 C.3 1 UNK -0.0440 17 C14 6.2444 1.2106 7.0903 C.3 1 UNK -0.0440 18 C15 6.0567 -3.6501 7.4797 C.3 1 UNK -0.0144 19 C16 5.1336 -3.2288 8.6248 C.3 1 UNK -0.0585 20 C17 7.0834 -4.7313 7.8230 C.3 1 UNK -0.0585 21 O2 0.1848 -5.5536 6.4554 O.2 1 UNK -0.4608 22 H -4.1627 -7.3080 5.1810 H 1 UNK 0.0532 23 H1 -2.6372 -8.2229 5.0057 H 1 UNK 0.0532 24 H2 -3.3691 -6.3665 7.1732 H 1 UNK 0.0571 25 H3 -0.9192 -8.0232 6.4460 H 1 UNK 0.0386 26 H4 -1.5068 -7.9195 8.0882 H 1 UNK 0.0386 27 H5 -1.0388 -5.6302 9.3889 H 1 UNK 0.0652 28 H6 0.5884 -3.5977 8.9293 H 1 UNK 0.0653 29 H7 1.5849 -2.5338 6.6851 H 1 UNK 0.0780 30 H8 1.4670 -3.5049 5.2372 H 1 UNK 0.0780 31 H9 5.4129 -4.3711 5.2732 H 1 UNK 0.0425 32 H10 7.4061 -2.2195 6.0886 H 1 UNK 0.0356 33 H11 4.9256 -1.0086 6.6915 H 1 UNK 0.0575 34 H12 8.4479 -1.4732 6.7083 H 1 UNK 0.0274 35 H13 8.6721 -0.1424 7.8181 H 1 UNK 0.0274 36 H14 8.7177 0.1403 6.0945 H 1 UNK 0.0274 37 H15 5.1750 1.1942 7.0594 H 1 UNK 0.0274 38 H16 6.6137 1.8551 6.3201 H 1 UNK 0.0274 39 H17 6.5681 1.5724 8.0438 H 1 UNK 0.0274 40 H18 4.4591 -2.4732 8.2797 H 1 UNK 0.0235 41 H19 5.7201 -2.8418 9.4317 H 1 UNK 0.0235 42 H20 4.5760 -4.0768 8.9638 H 1 UNK 0.0235 43 H21 7.6736 -4.9503 6.9578 H 1 UNK 0.0235 44 H22 6.5753 -5.6174 8.1417 H 1 UNK 0.0235 45 H23 7.7193 -4.3824 8.6096 H 1 UNK 0.0235 @BOND 1 1 2 2 2 2 3 1 3 3 4 1 4 4 21 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 1 9 7 21 ar 10 8 9 1 11 9 10 1 12 10 11 2 13 10 12 1 14 12 18 1 15 12 13 1 16 13 14 1 17 13 18 1 18 14 15 2 19 15 16 1 20 15 17 1 21 18 19 1 22 18 20 1 23 1 22 1 24 1 23 1 25 2 24 1 26 3 25 1 27 3 26 1 28 5 27 1 29 6 28 1 30 8 29 1 31 8 30 1 32 12 31 1 33 13 32 1 34 14 33 1 35 16 34 1 36 16 35 1 37 16 36 1 38 17 37 1 39 17 38 1 40 17 39 1 41 19 40 1 42 19 41 1 43 19 42 1 44 20 43 1 45 20 44 1 46 20 45 1