@MOLECULE FDBD02259 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.0433 -0.2589 3.0935 C.3 1 UNK -0.0440 2 C1 2.0823 -1.5740 2.3586 C.2 1 UNK -0.0793 3 C2 2.5577 -1.6291 1.1392 C.2 1 UNK -0.0809 4 C3 2.9547 -0.3616 0.4272 C.3 1 UNK -0.0033 5 C4 3.5747 -0.4978 -0.9649 C.3 1 UNK 0.0688 6 C5 3.7417 -1.8891 -1.5191 C.2 1 UNK 0.3116 7 O 3.0946 -2.2393 -2.4776 O.2 1 UNK -0.2505 8 O1 4.6093 -2.7394 -0.9481 O.3 1 UNK -0.4595 9 C6 4.7181 -4.0631 -1.5348 C.3 1 UNK 0.1230 10 C7 5.7322 -4.8712 -0.7669 C.ar 1 UNK 0.0657 11 C8 7.0647 -4.8435 -1.1395 C.ar 1 UNK 0.1680 12 C9 7.9977 -5.5865 -0.4327 C.ar 1 UNK 0.1670 13 C10 7.5965 -6.3559 0.6454 C.ar 1 UNK 0.0540 14 C11 8.6106 -7.1635 1.4137 C.3 1 UNK 0.0779 15 O2 9.1398 -6.3733 2.4803 O.3 1 UNK -0.3782 16 C12 10.1159 -7.0492 3.2755 C.3 1 UNK 0.0369 17 C13 6.2640 -6.3832 1.0183 C.ar 1 UNK 0.1670 18 C14 5.3318 -5.6364 0.3144 C.ar 1 UNK 0.1680 19 F 4.0311 -5.6628 0.6787 F 1 UNK -0.2020 20 F1 5.8723 -7.1343 2.0707 F 1 UNK -0.2020 21 F2 9.2985 -5.5598 -0.7967 F 1 UNK -0.2020 22 F3 7.4563 -4.0928 -2.1922 F 1 UNK -0.2020 23 C15 2.1487 0.0351 -0.8113 C.3 1 UNK -0.0144 24 C16 1.0014 -0.8855 -1.2322 C.3 1 UNK -0.0585 25 C17 1.9219 1.5279 -1.0584 C.3 1 UNK -0.0585 26 C18 1.5742 -2.8257 3.0265 C.3 1 UNK -0.0440 27 H 2.4419 0.5116 2.4672 H 1 UNK 0.0274 28 H1 2.6289 -0.3316 3.9861 H 1 UNK 0.0274 29 H2 1.0314 -0.0230 3.3491 H 1 UNK 0.0274 30 H3 2.6604 -2.5405 0.6661 H 1 UNK 0.0575 31 H4 3.2355 0.1276 1.3365 H 1 UNK 0.0356 32 H5 4.4690 -0.1434 -1.4334 H 1 UNK 0.0425 33 H6 5.0294 -3.9766 -2.5549 H 1 UNK 0.0750 34 H7 3.7669 -4.5513 -1.4923 H 1 UNK 0.0750 35 H8 9.4044 -7.4556 0.7584 H 1 UNK 0.0612 36 H9 8.1406 -8.0365 1.8159 H 1 UNK 0.0612 37 H10 10.4616 -6.3948 4.0482 H 1 UNK 0.0524 38 H11 10.9404 -7.3390 2.6581 H 1 UNK 0.0524 39 H12 9.6766 -7.9200 3.7156 H 1 UNK 0.0524 40 H13 1.2615 -1.9008 -1.0170 H 1 UNK 0.0235 41 H14 0.8242 -0.7775 -2.2819 H 1 UNK 0.0235 42 H15 0.1161 -0.6219 -0.6921 H 1 UNK 0.0235 43 H16 2.7791 2.0780 -0.7305 H 1 UNK 0.0235 44 H17 1.0600 1.8526 -0.5139 H 1 UNK 0.0235 45 H18 1.7680 1.6971 -2.1037 H 1 UNK 0.0235 46 H19 1.2276 -2.5892 4.0108 H 1 UNK 0.0274 47 H20 2.3659 -3.5427 3.0899 H 1 UNK 0.0274 48 H21 0.7683 -3.2340 2.4531 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 26 1 4 3 4 1 5 4 23 1 6 4 5 1 7 5 6 1 8 5 23 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 18 ar 14 10 11 ar 15 11 12 ar 16 11 22 1 17 12 13 ar 18 12 21 1 19 13 14 1 20 13 17 ar 21 14 15 1 22 15 16 1 23 17 18 ar 24 17 20 1 25 18 19 1 26 23 24 1 27 23 25 1 28 1 27 1 29 1 28 1 30 1 29 1 31 3 30 1 32 4 31 1 33 5 32 1 34 9 33 1 35 9 34 1 36 14 35 1 37 14 36 1 38 16 37 1 39 16 38 1 40 16 39 1 41 24 40 1 42 24 41 1 43 24 42 1 44 25 43 1 45 25 44 1 46 25 45 1 47 26 46 1 48 26 47 1 49 26 48 1