@MOLECULE FDBD03005 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1618 1.3952 -0.4187 C.3 1 UNK -0.0388 2 C1 -0.1392 -0.0857 -0.1403 C.ar 1 UNK -0.0324 3 C2 -0.3204 -0.9816 -1.1686 C.ar 1 UNK -0.0125 4 C3 -0.3007 -2.3497 -0.9188 C.ar 1 UNK 0.1655 5 C4 -0.0971 -2.8232 0.3729 C.ar 1 UNK 0.2042 6 C5 0.0873 -1.9293 1.4177 C.ar 1 UNK 0.1762 7 C6 0.0720 -0.5491 1.1632 C.ar 1 UNK 0.0707 8 C7 0.2672 0.4078 2.2652 C.2 1 UNK 0.2008 9 O -0.6692 0.7117 2.9800 O.2 1 UNK -0.2864 10 C8 1.5982 0.9980 2.5026 C.ar 1 UNK 0.0679 11 C9 2.5640 0.2878 3.2212 C.ar 1 UNK -0.0222 12 C10 2.2483 -1.0850 3.7567 C.3 1 UNK -0.0379 13 C11 3.8059 0.8450 3.4389 C.ar 1 UNK 0.0217 14 C12 4.1015 2.1077 2.9485 C.ar 1 UNK -0.0440 15 C13 3.1564 2.8196 2.2371 C.ar 1 UNK -0.0182 16 C14 1.9037 2.2721 2.0036 C.ar 1 UNK 0.1312 17 O1 0.9743 2.9709 1.3047 O.3 1 UNK -0.4944 18 C15 1.3855 4.2215 0.7490 C.3 1 UNK 0.0788 19 Br 5.1117 -0.1168 4.4113 Br 1 UNK -0.0500 20 O2 0.2863 -2.3876 2.6799 O.3 1 UNK -0.4906 21 C16 -0.8681 -2.5193 3.5118 C.3 1 UNK 0.0790 22 O3 -0.0792 -4.1630 0.6119 O.3 1 UNK -0.4885 23 C17 1.1642 -4.8401 0.4178 C.3 1 UNK 0.0791 24 O4 -0.4814 -3.2264 -1.9400 O.3 1 UNK -0.4913 25 C18 -0.6859 -2.6731 -3.2416 C.3 1 UNK 0.0790 26 H -0.0050 1.9320 0.4935 H 1 UNK 0.0278 27 H1 -1.1104 1.6657 -0.8332 H 1 UNK 0.0278 28 H2 0.6140 1.6393 -1.1140 H 1 UNK 0.0278 29 H3 -0.4716 -0.6370 -2.1295 H 1 UNK 0.0658 30 H4 1.2458 -1.3493 3.4919 H 1 UNK 0.0278 31 H5 2.3473 -1.0837 4.8221 H 1 UNK 0.0278 32 H6 2.9277 -1.7968 3.3363 H 1 UNK 0.0278 33 H7 5.0335 2.5179 3.1162 H 1 UNK 0.0630 34 H8 3.3824 3.7605 1.8785 H 1 UNK 0.0655 35 H9 0.5646 4.6670 0.2269 H 1 UNK 0.0660 36 H10 2.1956 4.0604 0.0688 H 1 UNK 0.0660 37 H11 1.7042 4.8736 1.5352 H 1 UNK 0.0660 38 H12 -0.5750 -2.8870 4.4729 H 1 UNK 0.0660 39 H13 -1.5555 -3.2049 3.0620 H 1 UNK 0.0660 40 H14 -1.3381 -1.5646 3.6234 H 1 UNK 0.0660 41 H15 1.0422 -5.8801 0.6380 H 1 UNK 0.0660 42 H16 1.9034 -4.4220 1.0687 H 1 UNK 0.0660 43 H17 1.4780 -4.7252 -0.5987 H 1 UNK 0.0660 44 H18 -0.8140 -3.4650 -3.9497 H 1 UNK 0.0660 45 H19 0.1637 -2.0833 -3.5160 H 1 UNK 0.0660 46 H20 -1.5605 -2.0567 -3.2337 H 1 UNK 0.0660 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 4 24 1 7 5 6 ar 8 5 22 1 9 6 7 ar 10 6 20 1 11 7 8 1 12 8 9 2 13 8 10 1 14 10 16 ar 15 10 11 ar 16 11 12 1 17 11 13 ar 18 13 14 ar 19 13 19 1 20 14 15 ar 21 15 16 ar 22 16 17 1 23 17 18 1 24 20 21 1 25 22 23 1 26 24 25 1 27 1 26 1 28 1 27 1 29 1 28 1 30 3 29 1 31 12 30 1 32 12 31 1 33 12 32 1 34 14 33 1 35 15 34 1 36 18 35 1 37 18 36 1 38 18 37 1 39 21 38 1 40 21 39 1 41 21 40 1 42 23 41 1 43 23 42 1 44 23 43 1 45 25 44 1 46 25 45 1 47 25 46 1