@MOLECULE FDBD01856 54 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6617 0.3481 -8.2484 C.3 1 UNK -0.0468 2 C1 -0.3194 0.3946 -6.7816 C.2 1 UNK -0.0907 3 C2 -1.2693 0.5433 -5.8917 C.2 1 UNK -0.0838 4 C3 -2.7042 0.6678 -6.3350 C.3 1 UNK -0.0061 5 C4 -3.5371 -0.3786 -5.6404 C.2 1 UNK 0.0013 6 C5 -4.2207 -0.1586 -4.5265 C.2 1 UNK -0.0255 7 C6 -4.2684 1.1576 -3.7940 C.3 1 UNK -0.0397 8 C7 -4.9446 -1.4092 -4.0948 C.3 1 UNK 0.1315 9 C8 -4.5926 -2.4743 -5.1482 C.3 1 UNK 0.0512 10 C9 -3.6881 -1.7477 -6.1206 C.2 1 UNK 0.1634 11 O -3.1759 -2.2201 -7.1138 O.2 1 UNK -0.2922 12 O1 -6.3778 -1.1773 -4.0723 O.3 1 UNK -0.4562 13 C10 -7.0950 -1.8810 -3.1822 C.2 1 UNK 0.3119 14 O2 -6.5436 -2.6647 -2.4464 O.2 1 UNK -0.2505 15 C11 -8.5881 -1.6935 -3.1008 C.3 1 UNK 0.0688 16 C12 -9.4239 -2.8805 -2.6178 C.3 1 UNK -0.0028 17 C13 -10.6455 -2.5797 -1.7882 C.2 1 UNK -0.0699 18 C14 -11.3105 -3.5708 -1.1993 C.2 1 UNK 0.0299 19 C15 -10.8419 -4.9938 -1.3622 C.3 1 UNK -0.0332 20 C16 -12.5016 -3.2774 -0.3903 C.2 1 UNK 0.3343 21 O3 -12.8795 -2.1298 -0.2590 O.2 1 UNK -0.2453 22 O4 -13.1752 -4.2812 0.2061 O.3 1 UNK -0.4647 23 C17 -14.3423 -3.9177 0.9897 C.3 1 UNK 0.0820 24 C18 -9.4532 -2.4732 -4.0931 C.3 1 UNK -0.0144 25 C19 -10.7207 -1.7920 -4.6128 C.3 1 UNK -0.0585 26 C20 -8.7363 -3.3840 -5.0918 C.3 1 UNK -0.0585 27 H 0.2342 0.2229 -8.8199 H 1 UNK 0.0272 28 H1 -1.1409 1.2618 -8.5320 H 1 UNK 0.0272 29 H2 -1.3215 -0.4734 -8.4348 H 1 UNK 0.0272 30 H3 0.6633 0.3093 -6.4781 H 1 UNK 0.0566 31 H4 -1.0349 0.5752 -4.8872 H 1 UNK 0.0572 32 H5 -2.7639 0.5261 -7.3939 H 1 UNK 0.0357 33 H6 -3.0719 1.6408 -6.0840 H 1 UNK 0.0357 34 H7 -3.6682 1.8761 -4.3121 H 1 UNK 0.0276 35 H8 -3.8911 1.0272 -2.8013 H 1 UNK 0.0276 36 H9 -5.2797 1.5040 -3.7485 H 1 UNK 0.0276 37 H10 -4.6578 -1.7151 -3.1104 H 1 UNK 0.0786 38 H11 -5.4744 -2.8271 -5.6409 H 1 UNK 0.0385 39 H12 -4.1263 -3.3369 -4.7199 H 1 UNK 0.0385 40 H13 -8.4999 -0.6652 -2.8186 H 1 UNK 0.0425 41 H14 -9.2172 -3.7858 -2.0862 H 1 UNK 0.0357 42 H15 -10.9664 -1.6052 -1.6767 H 1 UNK 0.0580 43 H16 -9.9679 -5.0131 -1.9791 H 1 UNK 0.0280 44 H17 -11.6152 -5.5737 -1.8211 H 1 UNK 0.0280 45 H18 -10.6099 -5.4050 -0.4020 H 1 UNK 0.0280 46 H19 -14.7816 -4.8002 1.4057 H 1 UNK 0.0661 47 H20 -15.0553 -3.4268 0.3608 H 1 UNK 0.0661 48 H21 -14.0500 -3.2582 1.7800 H 1 UNK 0.0661 49 H22 -11.1404 -1.1823 -3.8401 H 1 UNK 0.0235 50 H23 -11.4314 -2.5365 -4.9053 H 1 UNK 0.0235 51 H24 -10.4768 -1.1808 -5.4565 H 1 UNK 0.0235 52 H25 -7.8688 -3.8070 -4.6298 H 1 UNK 0.0235 53 H26 -8.4421 -2.8131 -5.9476 H 1 UNK 0.0235 54 H27 -9.3967 -4.1689 -5.3965 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 4 5 1 5 5 10 1 6 5 6 2 7 6 7 1 8 6 8 1 9 8 9 1 10 8 12 1 11 9 10 1 12 10 11 2 13 12 13 1 14 13 14 2 15 13 15 1 16 15 24 1 17 15 16 1 18 16 17 1 19 16 24 1 20 17 18 2 21 18 19 1 22 18 20 1 23 20 21 2 24 20 22 1 25 22 23 1 26 24 25 1 27 24 26 1 28 1 27 1 29 1 28 1 30 1 29 1 31 2 30 1 32 3 31 1 33 4 32 1 34 4 33 1 35 7 34 1 36 7 35 1 37 7 36 1 38 8 37 1 39 9 38 1 40 9 39 1 41 15 40 1 42 16 41 1 43 17 42 1 44 19 43 1 45 19 44 1 46 19 45 1 47 23 46 1 48 23 47 1 49 23 48 1 50 25 49 1 51 25 50 1 52 25 51 1 53 26 52 1 54 26 53 1 55 26 54 1