@MOLECULE FDBD02242 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6249 2.4569 2.7393 C.3 1 UNK -0.0616 2 C1 -3.2805 1.0551 2.2320 C.3 1 UNK -0.0297 3 C2 -2.0603 0.5248 2.9875 C.3 1 UNK -0.0616 4 C3 -4.4701 0.1217 2.4654 C.3 1 UNK 0.0838 5 C4 -5.6720 0.6440 1.7213 C.ar 1 UNK -0.0334 6 C5 -5.6269 0.7829 0.3466 C.ar 1 UNK -0.0564 7 C6 -6.7289 1.2619 -0.3364 C.ar 1 UNK -0.0431 8 C7 -7.8773 1.6024 0.3559 C.ar 1 UNK 0.0410 9 C8 -7.9218 1.4633 1.7317 C.ar 1 UNK -0.0431 10 C9 -6.8211 0.9788 2.4130 C.ar 1 UNK -0.0564 11 Cl -9.2616 2.2047 -0.5012 Cl 1 UNK -0.0835 12 C10 -4.1310 -1.2590 1.9657 C.2 1 UNK 0.3164 13 O -4.7968 -1.7667 1.0947 O.2 1 UNK -0.2501 14 O1 -3.0891 -1.9247 2.4883 O.3 1 UNK -0.4410 15 C11 -2.8209 -3.2498 1.9587 C.3 1 UNK 0.2129 16 C12 -1.8952 -3.1448 0.8191 C.1 1 UNK 0.1123 17 N -1.1808 -3.0637 -0.0604 N.1 1 UNK -0.1923 18 C13 -2.1995 -4.1040 3.0336 C.ar 1 UNK 0.0103 19 C14 -1.3432 -3.5356 3.9588 C.ar 1 UNK -0.0538 20 C15 -0.7717 -4.3162 4.9464 C.ar 1 UNK -0.0579 21 C16 -1.0547 -5.6670 5.0111 C.ar 1 UNK -0.0193 22 C17 -1.9134 -6.2397 4.0841 C.ar 1 UNK 0.1288 23 C18 -2.4902 -5.4527 3.0972 C.ar 1 UNK -0.0116 24 O2 -2.1933 -7.5680 4.1455 O.3 1 UNK -0.4560 25 C19 -2.9521 -8.1066 3.1550 C.ar 1 UNK 0.1285 26 C20 -2.3484 -8.5968 2.0059 C.ar 1 UNK -0.0183 27 C21 -3.1215 -9.1438 1.0003 C.ar 1 UNK -0.0443 28 C22 -4.4968 -9.2026 1.1381 C.ar 1 UNK 0.0181 29 C23 -5.1009 -8.7145 2.2831 C.ar 1 UNK -0.0443 30 C24 -4.3311 -8.1723 3.2938 C.ar 1 UNK -0.0183 31 Br -5.5527 -9.9509 -0.2407 Br 1 UNK -0.0503 32 H -2.7929 3.1097 2.5761 H 1 UNK 0.0233 33 H1 -3.8444 2.4136 3.7857 H 1 UNK 0.0233 34 H2 -4.4783 2.8277 2.2109 H 1 UNK 0.0233 35 H3 -3.0610 1.0984 1.1856 H 1 UNK 0.0306 36 H4 -2.2798 0.4815 4.0339 H 1 UNK 0.0233 37 H5 -1.2283 1.1776 2.8243 H 1 UNK 0.0233 38 H6 -1.8194 -0.4555 2.6327 H 1 UNK 0.0233 39 H7 -4.6895 0.0784 3.5118 H 1 UNK 0.0465 40 H8 -4.7702 0.5289 -0.1698 H 1 UNK 0.0621 41 H9 -6.6951 1.3655 -1.3626 H 1 UNK 0.0632 42 H10 -8.7766 1.7212 2.2491 H 1 UNK 0.0632 43 H11 -6.8571 0.8670 3.4383 H 1 UNK 0.0621 44 H12 -3.7374 -3.6962 1.6336 H 1 UNK 0.0948 45 H13 -1.1304 -2.5269 3.9119 H 1 UNK 0.0622 46 H14 -0.1332 -3.8896 5.6358 H 1 UNK 0.0619 47 H15 -0.6277 -6.2494 5.7483 H 1 UNK 0.0654 48 H16 -3.1357 -5.8748 2.4115 H 1 UNK 0.0658 49 H17 -1.3225 -8.5528 1.9026 H 1 UNK 0.0655 50 H18 -2.6728 -9.5089 0.1456 H 1 UNK 0.0630 51 H19 -6.1273 -8.7555 2.3821 H 1 UNK 0.0630 52 H20 -4.7813 -7.8164 4.1515 H 1 UNK 0.0655 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 12 1 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 8 11 1 12 9 10 ar 13 12 13 2 14 12 14 1 15 14 15 1 16 15 16 1 17 15 18 1 18 16 17 3 19 18 23 ar 20 18 19 ar 21 19 20 ar 22 20 21 ar 23 21 22 ar 24 22 23 ar 25 22 24 1 26 24 25 1 27 25 30 ar 28 25 26 ar 29 26 27 ar 30 27 28 ar 31 28 29 ar 32 28 31 1 33 29 30 ar 34 1 32 1 35 1 33 1 36 1 34 1 37 2 35 1 38 3 36 1 39 3 37 1 40 3 38 1 41 4 39 1 42 6 40 1 43 7 41 1 44 9 42 1 45 10 43 1 46 15 44 1 47 19 45 1 48 20 46 1 49 21 47 1 50 23 48 1 51 26 49 1 52 27 50 1 53 29 51 1 54 30 52 1