@MOLECULE FDBD02244 45 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0585 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0144 3 C2 -1.2387 -0.6776 -0.5878 C.3 1 UNK -0.0585 4 C3 1.3513 -0.6911 -0.2180 C.3 1 UNK -0.0018 5 C4 2.5582 0.1909 -0.4099 C.2 1 UNK -0.0587 6 C5 3.2550 0.1173 -1.5198 C.2 1 UNK 0.0569 7 Br 2.7446 -1.0953 -2.8780 Br 1 UNK -0.0427 8 Br1 4.7693 1.2240 -1.7605 Br 1 UNK -0.0427 9 C6 0.7014 -0.7075 1.1670 C.3 1 UNK 0.0689 10 C7 1.3170 0.1595 2.2348 C.2 1 UNK 0.3116 11 O 1.2473 1.3628 2.1506 O.2 1 UNK -0.2505 12 O1 1.9427 -0.4051 3.2796 O.3 1 UNK -0.4595 13 C8 2.5120 0.4913 4.2699 C.3 1 UNK 0.1204 14 C9 3.1685 -0.3162 5.3599 C.ar 1 UNK 0.0277 15 C10 2.5562 -0.7887 6.5435 C.ar 1 UNK -0.0140 16 C11 3.4993 -1.4593 7.2291 C.ar 1 UNK 0.1095 17 C12 3.3046 -2.1415 8.5587 C.3 1 UNK 0.0307 18 C13 2.8733 -3.5677 8.3332 C.ar 1 UNK -0.0401 19 C14 1.5295 -3.8759 8.2333 C.ar 1 UNK -0.0582 20 C15 1.1338 -5.1841 8.0264 C.ar 1 UNK -0.0615 21 C16 2.0821 -6.1842 7.9190 C.ar 1 UNK -0.0617 22 C17 3.4260 -5.8759 8.0180 C.ar 1 UNK -0.0615 23 C18 3.8218 -4.5670 8.2206 C.ar 1 UNK -0.0582 24 O2 4.6438 -1.4183 6.5276 O.2 1 UNK -0.4671 25 C19 4.4478 -0.7307 5.3907 C.ar 1 UNK 0.0985 26 H -1.0194 1.8680 0.1730 H 1 UNK 0.0235 27 H1 0.3352 1.8925 -0.9305 H 1 UNK 0.0235 28 H2 0.6136 1.8868 0.7945 H 1 UNK 0.0235 29 H3 -2.1048 -0.0924 -0.3591 H 1 UNK 0.0235 30 H4 -1.3477 -1.6554 -0.1672 H 1 UNK 0.0235 31 H5 -1.1313 -0.7559 -1.6495 H 1 UNK 0.0235 32 H6 1.7202 -1.4375 -0.8901 H 1 UNK 0.0357 33 H7 2.8368 0.8527 0.3313 H 1 UNK 0.0591 34 H8 0.4270 -1.4701 1.8656 H 1 UNK 0.0425 35 H9 1.7363 1.0957 4.6917 H 1 UNK 0.0750 36 H10 3.2411 1.1208 3.8040 H 1 UNK 0.0750 37 H11 1.5742 -0.6464 6.8270 H 1 UNK 0.0656 38 H12 2.5521 -1.6254 9.1175 H 1 UNK 0.0392 39 H13 4.2251 -2.1293 9.1040 H 1 UNK 0.0392 40 H14 0.8216 -3.1292 8.3132 H 1 UNK 0.0620 41 H15 0.1305 -5.4142 7.9521 H 1 UNK 0.0618 42 H16 1.7868 -7.1610 7.7649 H 1 UNK 0.0618 43 H17 4.1338 -6.6229 7.9407 H 1 UNK 0.0618 44 H18 4.8253 -4.3359 8.2878 H 1 UNK 0.0620 45 H19 5.1582 -0.5509 4.6640 H 1 UNK 0.1033 @BOND 1 1 2 1 2 2 9 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 9 1 7 5 6 2 8 6 7 1 9 6 8 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 14 25 ar 16 14 15 ar 17 15 16 ar 18 16 17 1 19 16 24 ar 20 17 18 1 21 18 23 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 22 23 ar 27 24 25 ar 28 1 26 1 29 1 27 1 30 1 28 1 31 3 29 1 32 3 30 1 33 3 31 1 34 4 32 1 35 5 33 1 36 9 34 1 37 13 35 1 38 13 36 1 39 15 37 1 40 17 38 1 41 17 39 1 42 19 40 1 43 20 41 1 44 21 42 1 45 22 43 1 46 23 44 1 47 25 45 1