@MOLECULE FDBD02243 56 58 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 -0.0332 6 C5 -5.6259 0.7825 0.3464 C.ar 1 UNK -0.0543 7 C6 -6.7262 1.2615 -0.3380 C.ar 1 UNK -0.0195 8 C7 -7.8782 1.6033 0.3553 C.ar 1 UNK 0.1269 9 C8 -7.9220 1.4630 1.7348 C.ar 1 UNK -0.0195 10 C9 -6.8209 0.9786 2.4140 C.ar 1 UNK -0.0543 11 O -8.9617 2.0752 -0.3156 O.3 1 UNK -0.4342 12 C10 -10.1130 2.4070 0.4631 C.3 1 UNK 0.3893 13 F -10.5589 1.2694 1.1444 F 1 UNK -0.1663 14 F1 -9.7798 3.4033 1.3870 F 1 UNK -0.1663 15 C11 -4.1310 -1.2590 1.9657 C.2 1 UNK 0.3164 16 O1 -4.7968 -1.7667 1.0947 O.2 1 UNK -0.2501 17 O2 -3.0891 -1.9247 2.4883 O.3 1 UNK -0.4410 18 C12 -2.8209 -3.2498 1.9587 C.3 1 UNK 0.2129 19 C13 -1.8952 -3.1448 0.8191 C.1 1 UNK 0.1123 20 N -1.1808 -3.0637 -0.0604 N.1 1 UNK -0.1923 21 C14 -2.1995 -4.1040 3.0336 C.ar 1 UNK 0.0103 22 C15 -1.3432 -3.5356 3.9588 C.ar 1 UNK -0.0538 23 C16 -0.7717 -4.3162 4.9464 C.ar 1 UNK -0.0579 24 C17 -1.0547 -5.6670 5.0111 C.ar 1 UNK -0.0193 25 C18 -1.9134 -6.2397 4.0841 C.ar 1 UNK 0.1288 26 C19 -2.4902 -5.4527 3.0972 C.ar 1 UNK -0.0116 27 O3 -2.1933 -7.5680 4.1455 O.3 1 UNK -0.4560 28 C20 -2.9521 -8.1066 3.1550 C.ar 1 UNK 0.1285 29 C21 -2.3484 -8.5968 2.0059 C.ar 1 UNK -0.0183 30 C22 -3.1215 -9.1438 1.0003 C.ar 1 UNK -0.0443 31 C23 -4.4968 -9.2026 1.1381 C.ar 1 UNK 0.0181 32 C24 -5.1009 -8.7145 2.2831 C.ar 1 UNK -0.0443 33 C25 -4.3311 -8.1723 3.2938 C.ar 1 UNK -0.0183 34 Br -5.5527 -9.9509 -0.2407 Br 1 UNK -0.0503 35 H -2.7929 3.1097 2.5761 H 1 UNK 0.0233 36 H1 -3.8444 2.4136 3.7857 H 1 UNK 0.0233 37 H2 -4.4783 2.8277 2.2109 H 1 UNK 0.0233 38 H3 -3.0610 1.0984 1.1856 H 1 UNK 0.0306 39 H4 -2.2798 0.4815 4.0339 H 1 UNK 0.0233 40 H5 -1.2283 1.1776 2.8243 H 1 UNK 0.0233 41 H6 -1.8194 -0.4555 2.6327 H 1 UNK 0.0233 42 H7 -4.6895 0.0784 3.5118 H 1 UNK 0.0465 43 H8 -4.7688 0.5278 -0.1690 H 1 UNK 0.0622 44 H9 -6.6912 1.3650 -1.3642 H 1 UNK 0.0654 45 H10 -8.7765 1.7203 2.2532 H 1 UNK 0.0654 46 H11 -6.8559 0.8664 3.4393 H 1 UNK 0.0622 47 H12 -10.8890 2.7636 -0.1816 H 1 UNK 0.1520 48 H13 -3.7374 -3.6962 1.6336 H 1 UNK 0.0948 49 H14 -1.1304 -2.5269 3.9119 H 1 UNK 0.0622 50 H15 -0.1332 -3.8896 5.6358 H 1 UNK 0.0619 51 H16 -0.6277 -6.2494 5.7483 H 1 UNK 0.0654 52 H17 -3.1357 -5.8748 2.4115 H 1 UNK 0.0658 53 H18 -1.3225 -8.5528 1.9026 H 1 UNK 0.0655 54 H19 -2.6728 -9.5089 0.1456 H 1 UNK 0.0630 55 H20 -6.1273 -8.7555 2.3821 H 1 UNK 0.0630 56 H21 -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 15 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 11 12 1 14 12 13 1 15 12 14 1 16 15 16 2 17 15 17 1 18 17 18 1 19 18 19 1 20 18 21 1 21 19 20 3 22 21 26 ar 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 24 25 ar 27 25 26 ar 28 25 27 1 29 27 28 1 30 28 33 ar 31 28 29 ar 32 29 30 ar 33 30 31 ar 34 31 32 ar 35 31 34 1 36 32 33 ar 37 1 35 1 38 1 36 1 39 1 37 1 40 2 38 1 41 3 39 1 42 3 40 1 43 3 41 1 44 4 42 1 45 6 43 1 46 7 44 1 47 9 45 1 48 10 46 1 49 12 47 1 50 18 48 1 51 22 49 1 52 23 50 1 53 24 51 1 54 26 52 1 55 29 53 1 56 30 54 1 57 32 55 1 58 33 56 1