@MOLECULE FDBD01859 52 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0327 1.3424 0.0368 C.2 1 UNK -0.0987 2 C1 0.0461 0.0137 0.0371 C.2 1 UNK -0.0692 3 C2 -1.2204 -0.7346 0.0145 C.2 1 UNK -0.0659 4 C3 -1.2078 -2.0586 -0.0962 C.2 1 UNK -0.0796 5 C4 0.0926 -2.7827 -0.3325 C.3 1 UNK -0.0058 6 C5 0.3433 -3.7469 0.7982 C.2 1 UNK 0.0013 7 C6 0.0171 -5.0309 0.7598 C.2 1 UNK -0.0255 8 C7 -0.6464 -5.7138 -0.4083 C.3 1 UNK -0.0397 9 C8 0.4033 -5.7132 2.0481 C.3 1 UNK 0.1315 10 C9 1.0406 -4.6174 2.9206 C.3 1 UNK 0.0512 11 C10 0.9784 -3.3752 2.0577 C.2 1 UNK 0.1634 12 O 1.3769 -2.2702 2.3613 O.2 1 UNK -0.2922 13 O1 1.3628 -6.7715 1.7878 O.3 1 UNK -0.4562 14 C11 1.3474 -7.8258 2.6184 C.2 1 UNK 0.3119 15 O2 0.5583 -7.8632 3.5326 O.2 1 UNK -0.2505 16 C12 2.3143 -8.9629 2.4106 C.3 1 UNK 0.0688 17 C13 2.5292 -9.9295 3.5769 C.3 1 UNK -0.0033 18 C14 2.7664 -11.3800 3.2439 C.2 1 UNK -0.0809 19 C15 2.7881 -12.2763 4.1991 C.2 1 UNK -0.0793 20 C16 2.5759 -11.8568 5.6309 C.3 1 UNK -0.0440 21 C17 3.0252 -13.7268 3.8661 C.3 1 UNK -0.0440 22 C18 3.6247 -8.9291 3.1996 C.3 1 UNK -0.0144 23 C19 4.8770 -9.4783 2.5134 C.3 1 UNK -0.0585 24 C20 3.8530 -7.7437 4.1396 C.3 1 UNK -0.0585 25 H 0.9210 1.8674 0.0527 H 1 UNK 0.0535 26 H1 -0.8661 1.8494 0.0207 H 1 UNK 0.0535 27 H2 0.9448 -0.4933 0.0532 H 1 UNK 0.0612 28 H3 -2.1185 -0.2312 0.0846 H 1 UNK 0.0614 29 H4 -2.0885 -2.5911 -0.0204 H 1 UNK 0.0575 30 H5 0.8923 -2.0734 -0.3803 H 1 UNK 0.0357 31 H6 0.0382 -3.3215 -1.2553 H 1 UNK 0.0357 32 H7 -0.8098 -5.0030 -1.1912 H 1 UNK 0.0276 33 H8 -1.5847 -6.1228 -0.0964 H 1 UNK 0.0276 34 H9 -0.0159 -6.5005 -0.7667 H 1 UNK 0.0276 35 H10 -0.4406 -6.1622 2.5289 H 1 UNK 0.0786 36 H11 2.0541 -4.8636 3.1594 H 1 UNK 0.0385 37 H12 0.5368 -4.4929 3.8563 H 1 UNK 0.0385 38 H13 2.0551 -9.0686 1.3779 H 1 UNK 0.0425 39 H14 1.9950 -10.1649 4.4736 H 1 UNK 0.0356 40 H15 2.9117 -11.6672 2.2634 H 1 UNK 0.0575 41 H16 2.4244 -10.7984 5.6738 H 1 UNK 0.0274 42 H17 3.4368 -12.1176 6.2103 H 1 UNK 0.0274 43 H18 1.7158 -12.3565 6.0252 H 1 UNK 0.0274 44 H19 3.1537 -13.8337 2.8092 H 1 UNK 0.0274 45 H20 2.1846 -14.3077 4.1838 H 1 UNK 0.0274 46 H21 3.9056 -14.0689 4.3689 H 1 UNK 0.0274 47 H22 4.6071 -10.2995 1.8828 H 1 UNK 0.0235 48 H23 5.5728 -9.8116 3.2548 H 1 UNK 0.0235 49 H24 5.3269 -8.7079 1.9227 H 1 UNK 0.0235 50 H25 2.9189 -7.4398 4.5638 H 1 UNK 0.0235 51 H26 4.2769 -6.9293 3.5901 H 1 UNK 0.0235 52 H27 4.5228 -8.0330 4.9222 H 1 UNK 0.0235 @BOND 1 1 2 2 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 2 27 1 29 3 28 1 30 4 29 1 31 5 30 1 32 5 31 1 33 8 32 1 34 8 33 1 35 8 34 1 36 9 35 1 37 10 36 1 38 10 37 1 39 16 38 1 40 17 39 1 41 18 40 1 42 20 41 1 43 20 42 1 44 20 43 1 45 21 44 1 46 21 45 1 47 21 46 1 48 23 47 1 49 23 48 1 50 23 49 1 51 24 50 1 52 24 51 1 53 24 52 1