@MOLECULE FDBD03227 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2649 1.5633 -0.0113 C.3 1 UNK 0.0789 2 O 0.1954 0.1360 -0.0080 O.3 1 UNK -0.4932 3 C1 0.7518 -0.5116 -1.0664 C.ar 1 UNK 0.1413 4 C2 1.3562 0.2102 -2.0825 C.ar 1 UNK -0.0181 5 C3 1.9215 -0.4496 -3.1581 C.ar 1 UNK -0.0582 6 C4 1.8858 -1.8304 -3.2236 C.ar 1 UNK -0.0598 7 C5 1.2848 -2.5582 -2.2142 C.ar 1 UNK -0.0368 8 C6 0.7204 -1.9033 -1.1288 C.ar 1 UNK 0.0766 9 N 0.1116 -2.6380 -0.1048 N.pl3 1 UNK -0.2898 10 C7 -1.2932 -2.9722 -0.1627 C.3 1 UNK 0.0272 11 C8 -1.7440 -3.7778 1.0607 C.3 1 UNK 0.0157 12 S -0.2389 -3.9516 2.0685 S.3 1 UNK -0.1066 13 C9 0.8270 -3.0645 0.9737 C.2 1 UNK 0.0926 14 C10 2.1676 -2.8339 1.1813 C.2 1 UNK 0.1172 15 C11 2.9524 -2.2058 0.1614 C.1 1 UNK 0.1088 16 N1 3.5750 -1.7075 -0.6477 N.1 1 UNK -0.1903 17 S1 2.9186 -3.3113 2.7021 S.3 1 UNK -0.0733 18 C12 4.0353 -4.5826 2.2107 C.ar 1 UNK 0.0491 19 C13 4.0395 -5.0370 0.8976 C.ar 1 UNK -0.0336 20 C14 4.9161 -6.0336 0.5158 C.ar 1 UNK 0.0560 21 C15 5.7894 -6.5806 1.4383 C.ar 1 UNK -0.0473 22 C16 5.7892 -6.1324 2.7469 C.ar 1 UNK -0.0248 23 C17 4.9196 -5.1305 3.1355 C.ar 1 UNK 0.1371 24 F 4.9193 -4.6928 4.4136 F 1 UNK -0.2043 25 C18 4.9207 -6.5264 -0.9083 C.3 1 UNK 0.4175 26 F1 5.9025 -5.8441 -1.6347 F 1 UNK -0.1659 27 F2 5.1960 -7.8979 -0.9264 F 1 UNK -0.1659 28 F3 3.6677 -6.2946 -1.4860 F 1 UNK -0.1659 29 H -0.2060 1.9454 0.8703 H 1 UNK 0.0660 30 H1 -0.2370 1.9428 -0.8767 H 1 UNK 0.0660 31 H2 1.2897 1.8704 -0.0299 H 1 UNK 0.0660 32 H3 1.3846 1.2408 -2.0367 H 1 UNK 0.0655 33 H4 2.3713 0.0899 -3.9141 H 1 UNK 0.0619 34 H5 2.3090 -2.3186 -4.0283 H 1 UNK 0.0618 35 H6 1.2558 -3.5884 -2.2676 H 1 UNK 0.0637 36 H7 -1.4741 -3.5520 -1.0436 H 1 UNK 0.0476 37 H8 -1.8494 -2.0582 -0.1791 H 1 UNK 0.0476 38 H9 -2.1154 -4.7372 0.7664 H 1 UNK 0.0396 39 H10 -2.5386 -3.2990 1.5939 H 1 UNK 0.0396 40 H11 3.3881 -4.6301 0.2082 H 1 UNK 0.0635 41 H12 6.4430 -7.3252 1.1495 H 1 UNK 0.0624 42 H13 6.4388 -6.5463 3.4337 H 1 UNK 0.0647 @BOND 1 1 2 1 2 2 3 1 3 3 8 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 ar 9 8 9 1 10 9 13 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 2 16 14 15 1 17 14 17 1 18 15 16 3 19 17 18 1 20 18 23 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 20 25 1 25 21 22 ar 26 22 23 ar 27 23 24 1 28 25 26 1 29 25 27 1 30 25 28 1 31 1 29 1 32 1 30 1 33 1 31 1 34 4 32 1 35 5 33 1 36 6 34 1 37 7 35 1 38 10 36 1 39 10 37 1 40 11 38 1 41 11 39 1 42 19 40 1 43 21 41 1 44 22 42 1