@MOLECULE FDBD02279 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9062 1.5439 -0.3741 C.3 1 UNK -0.0468 2 C1 2.7635 0.6494 0.0323 C.2 1 UNK -0.0907 3 C2 2.1367 -0.0636 -0.8704 C.2 1 UNK -0.0838 4 C3 2.5585 0.0106 -2.3153 C.3 1 UNK -0.0036 5 C4 1.6660 -0.6804 -3.3481 C.3 1 UNK 0.0688 6 C5 1.5349 -0.0297 -4.7011 C.2 1 UNK 0.3116 7 O 2.1599 0.9734 -4.9521 O.2 1 UNK -0.2505 8 O1 0.7238 -0.5645 -5.6273 O.3 1 UNK -0.4595 9 C6 0.6469 0.1155 -6.9079 C.3 1 UNK 0.1230 10 C7 -0.3050 -0.6235 -7.8127 C.ar 1 UNK 0.0657 11 C8 0.1643 -1.6345 -8.6331 C.ar 1 UNK 0.1680 12 C9 -0.7115 -2.3147 -9.4652 C.ar 1 UNK 0.1670 13 C10 -2.0549 -1.9828 -9.4755 C.ar 1 UNK 0.0540 14 C11 -3.0069 -2.7223 -10.3800 C.3 1 UNK 0.0779 15 O2 -3.5374 -3.8552 -9.6891 O.3 1 UNK -0.3782 16 C12 -4.4564 -4.6294 -10.4623 C.3 1 UNK 0.0369 17 C13 -2.5243 -0.9722 -8.6548 C.ar 1 UNK 0.1670 18 C14 -1.6494 -0.2952 -7.8192 C.ar 1 UNK 0.1680 19 F -2.1076 0.6911 -7.0177 F 1 UNK -0.2020 20 F1 -3.8358 -0.6482 -8.6648 F 1 UNK -0.2020 21 F2 -0.2532 -3.3013 -10.2664 F 1 UNK -0.2020 22 F3 1.4759 -1.9582 -8.6234 F 1 UNK -0.2020 23 C15 3.0240 -1.2850 -2.9828 C.3 1 UNK -0.0144 24 C16 4.1447 -1.1826 -4.0194 C.3 1 UNK -0.0585 25 C17 3.0253 -2.5569 -2.1325 C.3 1 UNK -0.0585 26 H 4.2923 2.0439 0.4895 H 1 UNK 0.0272 27 H1 3.5581 2.2688 -1.0800 H 1 UNK 0.0272 28 H2 4.6795 0.9542 -0.8203 H 1 UNK 0.0272 29 H3 2.4747 0.5985 1.0218 H 1 UNK 0.0566 30 H4 1.3541 -0.6761 -0.5921 H 1 UNK 0.0572 31 H5 2.9662 0.9936 -2.2040 H 1 UNK 0.0356 32 H6 0.6571 -1.0366 -3.3597 H 1 UNK 0.0425 33 H7 1.6179 0.1416 -7.3567 H 1 UNK 0.0750 34 H8 0.2952 1.1152 -6.7603 H 1 UNK 0.0750 35 H9 -2.4855 -3.0501 -11.2550 H 1 UNK 0.0612 36 H10 -3.8070 -2.0712 -10.6645 H 1 UNK 0.0612 37 H11 -4.8069 -5.4547 -9.8784 H 1 UNK 0.0524 38 H12 -3.9645 -4.9960 -11.3390 H 1 UNK 0.0524 39 H13 -5.2860 -4.0172 -10.7485 H 1 UNK 0.0524 40 H14 4.0515 -0.2613 -4.5556 H 1 UNK 0.0235 41 H15 4.0737 -2.0022 -4.7036 H 1 UNK 0.0235 42 H16 5.0926 -1.2126 -3.5240 H 1 UNK 0.0235 43 H17 2.2061 -2.5270 -1.4448 H 1 UNK 0.0235 44 H18 3.9448 -2.6218 -1.5892 H 1 UNK 0.0235 45 H19 2.9259 -3.4114 -2.7688 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 4 23 1 5 4 5 1 6 5 6 1 7 5 23 1 8 6 7 2 9 6 8 1 10 8 9 1 11 9 10 1 12 10 18 ar 13 10 11 ar 14 11 12 ar 15 11 22 1 16 12 13 ar 17 12 21 1 18 13 14 1 19 13 17 ar 20 14 15 1 21 15 16 1 22 17 18 ar 23 17 20 1 24 18 19 1 25 23 24 1 26 23 25 1 27 1 26 1 28 1 27 1 29 1 28 1 30 2 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