@MOLECULE FDBD03029 39 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4601 0.0101 C.3 1 UNK 0.1410 2 N 0.0021 -0.0041 0.0020 N.ar 1 UNK -0.1986 3 C1 -0.1073 -0.5536 -1.1863 C.ar 1 UNK 0.1829 4 C2 0.0032 -1.9397 -1.3803 C.ar 1 UNK 0.0917 5 C3 0.3413 -2.7469 -0.2637 C.ar 1 UNK 0.0050 6 C4 0.5182 -4.1192 -0.4285 C.ar 1 UNK -0.0494 7 C5 0.3524 -4.6858 -1.6617 C.ar 1 UNK -0.0155 8 C6 -0.0043 -3.9122 -2.7622 C.ar 1 UNK 0.1671 9 C7 -0.1810 -2.5424 -2.6315 C.ar 1 UNK 0.1796 10 O -0.5092 -2.0614 -3.8610 O.3 1 UNK -0.4518 11 C8 -1.0418 -3.1613 -4.6097 C.3 1 UNK 0.2333 12 O1 -0.2424 -4.2205 -4.0683 O.3 1 UNK -0.4526 13 C9 0.4791 -2.0776 1.0294 C.ar 1 UNK 0.0548 14 C10 1.0033 -2.7548 2.1418 C.ar 1 UNK -0.0471 15 C11 1.0929 -2.1562 3.3504 C.ar 1 UNK -0.0529 16 C12 0.5943 -0.8518 3.5457 C.ar 1 UNK -0.0079 17 C13 0.7327 -0.2224 4.7926 C.ar 1 UNK -0.0082 18 C14 0.1075 0.9658 5.0276 C.ar 1 UNK 0.1668 19 C15 -0.6841 1.5531 4.0282 C.ar 1 UNK 0.1670 20 C16 -0.7611 0.9907 2.7752 C.ar 1 UNK -0.0021 21 C17 -0.0494 -0.1717 2.4773 C.ar 1 UNK 0.0576 22 C18 0.1211 -0.7078 1.1264 C.ar 1 UNK 0.2231 23 O2 -1.2449 2.6672 4.5776 O.3 1 UNK -0.4526 24 C19 -0.3735 3.0752 5.6409 C.3 1 UNK 0.2332 25 O3 0.0679 1.7944 6.1077 O.3 1 UNK -0.4526 26 H 0.0764 1.8125 1.0160 H 1 UNK 0.0993 27 H1 -0.9415 1.8065 -0.4042 H 1 UNK 0.0993 28 H2 0.7972 1.8311 -0.5756 H 1 UNK 0.0993 29 H3 -0.2800 0.0530 -2.0032 H 1 UNK 0.1384 30 H4 0.7742 -4.7075 0.3798 H 1 UNK 0.0625 31 H5 0.4938 -5.7014 -1.7781 H 1 UNK 0.0655 32 H6 -0.8869 -3.0412 -5.6616 H 1 UNK 0.1166 33 H7 -2.0996 -3.2999 -4.5280 H 1 UNK 0.1166 34 H8 1.3267 -3.7290 2.0347 H 1 UNK 0.0626 35 H9 1.5307 -2.6590 4.1382 H 1 UNK 0.0624 36 H10 1.3071 -0.6587 5.5306 H 1 UNK 0.0661 37 H11 -1.3492 1.4315 2.0507 H 1 UNK 0.0663 38 H12 -0.8997 3.6147 6.4004 H 1 UNK 0.1166 39 H13 0.4103 3.7428 5.3496 H 1 UNK 0.1166 @BOND 1 1 2 1 2 2 22 ar 3 2 3 ar 4 3 4 ar 5 4 9 ar 6 4 5 ar 7 5 6 ar 8 5 13 ar 9 6 7 ar 10 7 8 ar 11 8 12 1 12 8 9 ar 13 9 10 1 14 10 11 1 15 11 12 1 16 13 22 ar 17 13 14 ar 18 14 15 ar 19 15 16 ar 20 16 21 ar 21 16 17 ar 22 17 18 ar 23 18 25 1 24 18 19 ar 25 19 20 ar 26 19 23 1 27 20 21 ar 28 21 22 ar 29 23 24 1 30 24 25 1 31 1 26 1 32 1 27 1 33 1 28 1 34 3 29 1 35 6 30 1 36 7 31 1 37 11 32 1 38 11 33 1 39 14 34 1 40 15 35 1 41 17 36 1 42 20 37 1 43 24 38 1 44 24 39 1