@MOLECULE FDBD02299 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.0196 -1.8386 -2.4858 C.3 1 UNK -0.0585 2 C1 1.0617 -1.7532 -1.2958 C.3 1 UNK -0.0156 3 C2 0.3772 -3.0643 -0.9042 C.3 1 UNK -0.0585 4 C3 1.4170 -0.7780 -0.1716 C.3 1 UNK 0.0677 5 C4 2.6835 0.0249 -0.3212 C.2 1 UNK 0.3116 6 O 2.6363 1.2322 -0.3270 O.2 1 UNK -0.2505 7 O1 3.8640 -0.6012 -0.4481 O.3 1 UNK -0.4595 8 C5 5.0423 0.2356 -0.5881 C.3 1 UNK 0.1230 9 C6 6.2649 -0.6359 -0.7175 C.ar 1 UNK 0.0657 10 C7 6.9567 -1.0299 0.4144 C.ar 1 UNK 0.1680 11 C8 8.0812 -1.8321 0.2954 C.ar 1 UNK 0.1670 12 C9 8.5118 -2.2389 -0.9553 C.ar 1 UNK 0.0540 13 C10 9.7341 -3.1108 -1.0846 C.3 1 UNK 0.0779 14 O2 9.3462 -4.4853 -1.0347 O.3 1 UNK -0.3782 15 C11 10.4368 -5.4015 -1.1494 C.3 1 UNK 0.0369 16 C12 7.8197 -1.8453 -2.0872 C.ar 1 UNK 0.1670 17 C13 6.6924 -1.0470 -1.9679 C.ar 1 UNK 0.1680 18 F 6.0166 -0.6631 -3.0729 F 1 UNK -0.2020 19 F1 8.2401 -2.2423 -3.3082 F 1 UNK -0.2020 20 F2 8.7569 -2.2164 1.4005 F 1 UNK -0.2020 21 F3 6.5366 -0.6325 1.6354 F 1 UNK -0.2020 22 C14 0.2623 -0.4600 -1.1237 C.3 1 UNK -0.0156 23 C15 0.4819 0.6487 -2.1549 C.3 1 UNK -0.0585 24 C16 -1.1603 -0.5769 -0.5728 C.3 1 UNK -0.0585 25 H 1.6501 -2.5540 -3.1904 H 1 UNK 0.0235 26 H1 2.9871 -2.1417 -2.1438 H 1 UNK 0.0235 27 H2 2.0915 -0.8798 -2.9553 H 1 UNK 0.0235 28 H3 0.1886 -3.6446 -1.7832 H 1 UNK 0.0235 29 H4 -0.5488 -2.8503 -0.4127 H 1 UNK 0.0235 30 H5 1.0131 -3.6150 -0.2429 H 1 UNK 0.0235 31 H6 1.5238 -0.8533 0.8904 H 1 UNK 0.0424 32 H7 5.1400 0.8613 0.2744 H 1 UNK 0.0750 33 H8 4.9449 0.8454 -1.4619 H 1 UNK 0.0750 34 H9 10.4085 -2.9011 -0.2807 H 1 UNK 0.0612 35 H10 10.2181 -2.9104 -2.0176 H 1 UNK 0.0612 36 H11 10.0665 -6.4043 -1.1034 H 1 UNK 0.0524 37 H12 11.1255 -5.2385 -0.3469 H 1 UNK 0.0524 38 H13 10.9350 -5.2478 -2.0838 H 1 UNK 0.0524 39 H14 1.5036 0.6429 -2.4727 H 1 UNK 0.0235 40 H15 0.2507 1.5961 -1.7147 H 1 UNK 0.0235 41 H16 -0.1550 0.4824 -2.9985 H 1 UNK 0.0235 42 H17 -1.2038 -1.3776 0.1356 H 1 UNK 0.0235 43 H18 -1.8388 -0.7743 -1.3763 H 1 UNK 0.0235 44 H19 -1.4332 0.3395 -0.0925 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 22 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 22 1 7 5 6 2 8 5 7 1 9 7 8 1 10 8 9 1 11 9 17 ar 12 9 10 ar 13 10 11 ar 14 10 21 1 15 11 12 ar 16 11 20 1 17 12 13 1 18 12 16 ar 19 13 14 1 20 14 15 1 21 16 17 ar 22 16 19 1 23 17 18 1 24 22 23 1 25 22 24 1 26 1 25 1 27 1 26 1 28 1 27 1 29 3 28 1 30 3 29 1 31 3 30 1 32 4 31 1 33 8 32 1 34 8 33 1 35 13 34 1 36 13 35 1 37 15 36 1 38 15 37 1 39 15 38 1 40 23 39 1 41 23 40 1 42 23 41 1 43 24 42 1 44 24 43 1 45 24 44 1