@MOLECULE FDBD02286 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C -5.1717 -0.6887 4.0655 C.3 1 UNK -0.0440 2 C1 -4.1949 -1.7246 3.5717 C.2 1 UNK -0.0793 3 C2 -2.9102 -1.4682 3.5759 C.2 1 UNK -0.0809 4 C3 -2.4092 -0.1373 4.0745 C.3 1 UNK -0.0033 5 C4 -0.8980 0.0298 4.2451 C.3 1 UNK 0.0688 6 C5 -0.0244 -1.1491 3.9016 C.2 1 UNK 0.3116 7 O 0.7246 -1.0907 2.9554 O.2 1 UNK -0.2505 8 O1 -0.0784 -2.2642 4.6469 O.3 1 UNK -0.4596 9 C6 0.7911 -3.3600 4.2577 C.3 1 UNK 0.1176 10 C7 0.5942 -4.5175 5.2024 C.ar 1 UNK -0.0068 11 C8 1.3628 -4.6125 6.3482 C.ar 1 UNK -0.0551 12 C9 1.1844 -5.6728 7.2172 C.ar 1 UNK -0.0579 13 C10 0.2376 -6.6407 6.9427 C.ar 1 UNK -0.0193 14 C11 -0.5348 -6.5478 5.7940 C.ar 1 UNK 0.1288 15 C12 -0.3577 -5.4794 4.9262 C.ar 1 UNK -0.0129 16 O2 -1.4667 -7.4985 5.5216 O.3 1 UNK -0.4560 17 C13 -1.1666 -8.4362 4.5850 C.ar 1 UNK 0.1284 18 C14 0.1012 -8.4758 4.0226 C.ar 1 UNK -0.0193 19 C15 0.4037 -9.4299 3.0706 C.ar 1 UNK -0.0583 20 C16 -0.5558 -10.3447 2.6777 C.ar 1 UNK -0.0615 21 C17 -1.8201 -10.3072 3.2363 C.ar 1 UNK -0.0583 22 C18 -2.1258 -9.3592 4.1935 C.ar 1 UNK -0.0193 23 C19 -1.6203 0.7330 3.0942 C.3 1 UNK -0.0144 24 C20 -1.4004 0.1854 1.6825 C.3 1 UNK -0.0585 25 C21 -1.7991 2.2492 3.1936 C.3 1 UNK -0.0585 26 C22 -4.6959 -3.0556 3.0730 C.3 1 UNK -0.0440 27 H -4.6381 0.1849 4.3770 H 1 UNK 0.0274 28 H1 -5.7228 -1.0840 4.8931 H 1 UNK 0.0274 29 H2 -5.8478 -0.4315 3.2770 H 1 UNK 0.0274 30 H3 -2.2413 -2.1776 3.2378 H 1 UNK 0.0575 31 H4 -3.2631 0.0123 4.7017 H 1 UNK 0.0356 32 H5 -0.2562 0.3448 5.0412 H 1 UNK 0.0425 33 H6 1.8106 -3.0374 4.2965 H 1 UNK 0.0749 34 H7 0.5522 -3.6683 3.2613 H 1 UNK 0.0749 35 H8 2.0708 -3.8906 6.5549 H 1 UNK 0.0621 36 H9 1.7590 -5.7413 8.0717 H 1 UNK 0.0619 37 H10 0.1050 -7.4322 7.5916 H 1 UNK 0.0654 38 H11 -0.9367 -5.4037 4.0753 H 1 UNK 0.0658 39 H12 0.8176 -7.7930 4.3153 H 1 UNK 0.0654 40 H13 1.3466 -9.4600 2.6523 H 1 UNK 0.0619 41 H14 -0.3279 -11.0567 1.9663 H 1 UNK 0.0618 42 H15 -2.5360 -10.9880 2.9379 H 1 UNK 0.0619 43 H16 -3.0667 -9.3375 4.6170 H 1 UNK 0.0654 44 H17 -1.2878 -0.8778 1.7259 H 1 UNK 0.0235 45 H18 -0.5169 0.6209 1.2646 H 1 UNK 0.0235 46 H19 -2.2428 0.4301 1.0698 H 1 UNK 0.0235 47 H20 -1.9451 2.5248 4.2171 H 1 UNK 0.0235 48 H21 -2.6516 2.5462 2.6192 H 1 UNK 0.0235 49 H22 -0.9257 2.7370 2.8140 H 1 UNK 0.0235 50 H23 -5.7632 -3.0843 3.1439 H 1 UNK 0.0274 51 H24 -4.2776 -3.8400 3.6685 H 1 UNK 0.0274 52 H25 -4.4026 -3.1875 2.0525 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 26 1 4 3 4 1 5 4 23 1 6 4 5 1 7 5 6 1 8 5 23 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 15 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 ar 18 14 15 ar 19 14 16 1 20 16 17 1 21 17 22 ar 22 17 18 ar 23 18 19 ar 24 19 20 ar 25 20 21 ar 26 21 22 ar 27 23 24 1 28 23 25 1 29 1 27 1 30 1 28 1 31 1 29 1 32 3 30 1 33 4 31 1 34 5 32 1 35 9 33 1 36 9 34 1 37 11 35 1 38 12 36 1 39 13 37 1 40 15 38 1 41 18 39 1 42 19 40 1 43 20 41 1 44 21 42 1 45 22 43 1 46 24 44 1 47 24 45 1 48 24 46 1 49 25 47 1 50 25 48 1 51 25 49 1 52 26 50 1 53 26 51 1 54 26 52 1