@MOLECULE FDBD02240 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6941 0.4721 0.4200 C.3 1 UNK -0.0388 2 C1 0.6526 -1.0197 0.2110 C.ar 1 UNK -0.0364 3 C2 0.5376 -1.5364 -1.0639 C.ar 1 UNK -0.0068 4 C3 0.4994 -2.9053 -1.2571 C.ar 1 UNK -0.0551 5 C4 0.5767 -3.7642 -0.1753 C.ar 1 UNK -0.0608 6 C5 0.6923 -3.2585 1.1035 C.ar 1 UNK -0.0538 7 C6 0.7361 -1.8801 1.3036 C.ar 1 UNK -0.0146 8 C7 0.8604 -1.3305 2.6764 C.ar 1 UNK -0.0176 9 C8 1.8256 -0.3660 2.9587 C.ar 1 UNK -0.0540 10 C9 1.9365 0.1421 4.2371 C.ar 1 UNK -0.0612 11 C10 1.0917 -0.3044 5.2372 C.ar 1 UNK -0.0617 12 C11 0.1320 -1.2619 4.9627 C.ar 1 UNK -0.0612 13 C12 0.0085 -1.7727 3.6864 C.ar 1 UNK -0.0540 14 C13 0.4529 -0.6072 -2.2472 C.3 1 UNK 0.1178 15 O 0.3384 -1.3862 -3.4672 O.3 1 UNK -0.4596 16 C14 0.2524 -0.7041 -4.6200 C.2 1 UNK 0.3116 17 O1 0.2722 0.5039 -4.6101 O.2 1 UNK -0.2505 18 C15 0.1312 -1.4450 -5.9267 C.3 1 UNK 0.0689 19 C16 -0.9692 -0.9996 -6.8919 C.3 1 UNK -0.0019 20 C17 -1.8485 0.1468 -6.4634 C.2 1 UNK -0.0567 21 C18 -2.6928 0.6793 -7.3142 C.2 1 UNK 0.1170 22 C19 -3.5721 1.8257 -6.8857 C.3 1 UNK 0.4275 23 F -3.3081 2.1415 -5.5486 F 1 UNK -0.1651 24 F1 -3.3091 2.9407 -7.6888 F 1 UNK -0.1651 25 F2 -4.9154 1.4594 -7.0220 F 1 UNK -0.1651 26 Cl -2.7974 0.0635 -8.9340 Cl 1 UNK -0.0794 27 C20 -1.1072 -2.3202 -6.1303 C.3 1 UNK -0.0144 28 C21 -0.9338 -3.6158 -6.9255 C.3 1 UNK -0.0585 29 C22 -2.1279 -2.3759 -4.9919 C.3 1 UNK -0.0585 30 H 0.7849 0.6835 1.4650 H 1 UNK 0.0278 31 H1 -0.2071 0.9101 0.0446 H 1 UNK 0.0278 32 H2 1.5339 0.8820 -0.1011 H 1 UNK 0.0278 33 H3 0.4129 -3.2875 -2.2118 H 1 UNK 0.0621 34 H4 0.5479 -4.7849 -0.3249 H 1 UNK 0.0618 35 H5 0.7462 -3.8999 1.9101 H 1 UNK 0.0624 36 H6 2.4564 -0.0322 2.2132 H 1 UNK 0.0624 37 H7 2.6510 0.8565 4.4472 H 1 UNK 0.0618 38 H8 1.1778 0.0783 6.1917 H 1 UNK 0.0618 39 H9 -0.4928 -1.5950 5.7135 H 1 UNK 0.0618 40 H10 -0.7135 -2.4808 3.4806 H 1 UNK 0.0624 41 H11 1.3355 -0.0039 -2.2908 H 1 UNK 0.0749 42 H12 -0.4055 0.0233 -2.1448 H 1 UNK 0.0749 43 H13 1.1874 -1.5987 -6.0019 H 1 UNK 0.0425 44 H14 -1.0024 -0.7129 -7.9222 H 1 UNK 0.0357 45 H15 -1.7863 0.5129 -5.5005 H 1 UNK 0.0589 46 H16 -0.2020 -3.4685 -7.6921 H 1 UNK 0.0235 47 H17 -1.8675 -3.8883 -7.3713 H 1 UNK 0.0235 48 H18 -0.6106 -4.3966 -6.2692 H 1 UNK 0.0235 49 H19 -2.1707 -1.4244 -4.5043 H 1 UNK 0.0235 50 H20 -1.8349 -3.1252 -4.2865 H 1 UNK 0.0235 51 H21 -3.0919 -2.6170 -5.3887 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 3 14 1 6 4 5 ar 7 5 6 ar 8 6 7 ar 9 7 8 1 10 8 13 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 12 13 ar 16 14 15 1 17 15 16 1 18 16 17 2 19 16 18 1 20 18 27 1 21 18 19 1 22 19 20 1 23 19 27 1 24 20 21 2 25 21 22 1 26 21 26 1 27 22 23 1 28 22 24 1 29 22 25 1 30 27 28 1 31 27 29 1 32 1 30 1 33 1 31 1 34 1 32 1 35 4 33 1 36 5 34 1 37 6 35 1 38 9 36 1 39 10 37 1 40 11 38 1 41 12 39 1 42 13 40 1 43 14 41 1 44 14 42 1 45 18 43 1 46 19 44 1 47 20 45 1 48 28 46 1 49 28 47 1 50 28 48 1 51 29 49 1 52 29 50 1 53 29 51 1