@MOLECULE FDBD01857 54 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2068 1.8441 -0.3229 C.3 1 UNK -0.0618 2 C1 0.2299 0.3490 0.0010 C.3 1 UNK -0.0376 3 C2 0.7224 -0.4175 -1.1994 C.2 1 UNK -0.0879 4 C3 1.7544 -1.2167 -1.0880 C.2 1 UNK -0.0835 5 C4 2.3487 -1.4953 0.2686 C.3 1 UNK -0.0061 6 C5 2.3675 -2.9822 0.5129 C.2 1 UNK 0.0013 7 C6 3.4161 -3.7566 0.2738 C.2 1 UNK -0.0255 8 C7 4.7345 -3.2724 -0.2724 C.3 1 UNK -0.0397 9 C8 3.1057 -5.1901 0.6253 C.3 1 UNK 0.1315 10 C9 1.6542 -5.1848 1.1363 C.3 1 UNK 0.0512 11 C10 1.2357 -3.7328 1.0455 C.2 1 UNK 0.1634 12 O 0.1537 -3.2776 1.3523 O.2 1 UNK -0.2922 13 O1 4.0043 -5.6579 1.6655 O.3 1 UNK -0.4562 14 C11 4.3042 -6.9662 1.6687 C.2 1 UNK 0.3119 15 O2 3.8315 -7.6964 0.8301 O.2 1 UNK -0.2505 16 C12 5.2304 -7.5244 2.7182 C.3 1 UNK 0.0688 17 C13 5.2295 -9.0401 2.9274 C.3 1 UNK -0.0033 18 C14 6.5407 -9.6950 3.2777 C.2 1 UNK -0.0809 19 C15 6.6345 -11.0014 3.3021 C.2 1 UNK -0.0793 20 C16 5.4312 -11.8493 2.9797 C.3 1 UNK -0.0440 21 C17 7.9458 -11.6563 3.6525 C.3 1 UNK -0.0440 22 C18 4.5953 -8.1221 3.9753 C.3 1 UNK -0.0144 23 C19 5.3410 -7.9397 5.2988 C.3 1 UNK -0.0585 24 C20 3.0683 -8.1077 4.0705 C.3 1 UNK -0.0585 25 H -0.1429 2.3883 0.5294 H 1 UNK 0.0233 26 H1 -0.4475 2.0195 -1.1511 H 1 UNK 0.0233 27 H2 1.1947 2.1701 -0.5735 H 1 UNK 0.0233 28 H3 -0.7580 0.0230 0.2516 H 1 UNK 0.0305 29 H4 0.8842 0.1736 0.8292 H 1 UNK 0.0305 30 H5 0.2467 -0.3128 -2.1092 H 1 UNK 0.0569 31 H6 2.1604 -1.6555 -1.9292 H 1 UNK 0.0572 32 H7 1.7577 -1.0175 1.0219 H 1 UNK 0.0357 33 H8 3.3482 -1.1151 0.3051 H 1 UNK 0.0357 34 H9 4.6871 -2.2158 -0.4342 H 1 UNK 0.0276 35 H10 4.9396 -3.7663 -1.1992 H 1 UNK 0.0276 36 H11 5.5129 -3.4913 0.4283 H 1 UNK 0.0276 37 H12 3.2279 -5.8411 -0.2150 H 1 UNK 0.0786 38 H13 1.6063 -5.5313 2.1475 H 1 UNK 0.0385 39 H14 1.0173 -5.8318 0.5701 H 1 UNK 0.0385 40 H15 5.9819 -6.7871 2.5272 H 1 UNK 0.0425 41 H16 4.8967 -9.8829 2.3584 H 1 UNK 0.0356 42 H17 7.3648 -9.1143 3.4984 H 1 UNK 0.0575 43 H18 4.5979 -11.2160 2.7572 H 1 UNK 0.0274 44 H19 5.1949 -12.4675 3.8205 H 1 UNK 0.0274 45 H20 5.6464 -12.4665 2.1325 H 1 UNK 0.0274 46 H21 8.6795 -10.9027 3.8492 H 1 UNK 0.0274 47 H22 8.2702 -12.2651 2.8346 H 1 UNK 0.0274 48 H23 7.8187 -12.2661 4.5225 H 1 UNK 0.0274 49 H24 6.3957 -7.9652 5.1204 H 1 UNK 0.0235 50 H25 5.0737 -8.7286 5.9705 H 1 UNK 0.0235 51 H26 5.0751 -6.9977 5.7311 H 1 UNK 0.0235 52 H27 2.6489 -8.2422 3.0954 H 1 UNK 0.0235 53 H28 2.7448 -7.1700 4.4717 H 1 UNK 0.0235 54 H29 2.7434 -8.9008 4.7110 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 6 11 1 7 6 7 2 8 7 8 1 9 7 9 1 10 9 10 1 11 9 13 1 12 10 11 1 13 11 12 2 14 13 14 1 15 14 15 2 16 14 16 1 17 16 22 1 18 16 17 1 19 17 18 1 20 17 22 1 21 18 19 2 22 19 20 1 23 19 21 1 24 22 23 1 25 22 24 1 26 1 25 1 27 1 26 1 28 1 27 1 29 2 28 1 30 2 29 1 31 3 30 1 32 4 31 1 33 5 32 1 34 5 33 1 35 8 34 1 36 8 35 1 37 8 36 1 38 9 37 1 39 10 38 1 40 10 39 1 41 16 40 1 42 17 41 1 43 18 42 1 44 20 43 1 45 20 44 1 46 20 45 1 47 21 46 1 48 21 47 1 49 21 48 1 50 23 49 1 51 23 50 1 52 23 51 1 53 24 52 1 54 24 53 1 55 24 54 1