@MOLECULE FDBD01860 55 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0328 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 0.0144 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 -5.7137 -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 -6.7714 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 -0.0028 18 C14 2.7664 -11.3800 3.2439 C.2 1 UNK -0.0699 19 C15 2.7884 -12.2905 4.2143 C.2 1 UNK 0.0299 20 C16 2.5762 -11.8711 5.6461 C.3 1 UNK -0.0332 21 C17 3.0197 -13.7049 3.8895 C.2 1 UNK 0.3343 22 O3 3.1908 -14.0432 2.7348 O.2 1 UNK -0.2453 23 O4 3.0420 -14.6272 4.8724 O.3 1 UNK -0.4647 24 C18 3.2756 -16.0050 4.4783 C.3 1 UNK 0.0820 25 C19 3.6247 -8.9291 3.1996 C.3 1 UNK -0.0144 26 C20 4.8770 -9.4783 2.5134 C.3 1 UNK -0.0585 27 C21 3.8530 -7.7437 4.1396 C.3 1 UNK -0.0585 28 H 0.9212 1.8673 0.0527 H 1 UNK 0.0535 29 H1 -0.8659 1.8494 0.0206 H 1 UNK 0.0535 30 H2 0.9448 -0.4933 0.0533 H 1 UNK 0.0612 31 H3 -2.1185 -0.2312 0.0844 H 1 UNK 0.0614 32 H4 -2.0885 -2.5911 -0.0203 H 1 UNK 0.0575 33 H5 0.8923 -2.0734 -0.3803 H 1 UNK 0.0357 34 H6 0.0382 -3.3215 -1.2553 H 1 UNK 0.0357 35 H7 -0.8098 -5.0028 -1.1912 H 1 UNK 0.0276 36 H8 -1.5847 -6.1227 -0.0964 H 1 UNK 0.0276 37 H9 -0.0159 -6.5004 -0.7667 H 1 UNK 0.0276 38 H10 -0.4406 -6.1622 2.5289 H 1 UNK 0.0786 39 H11 2.0541 -4.8636 3.1594 H 1 UNK 0.0385 40 H12 0.5368 -4.4929 3.8563 H 1 UNK 0.0385 41 H13 2.0551 -9.0686 1.3779 H 1 UNK 0.0425 42 H14 1.9950 -10.1649 4.4736 H 1 UNK 0.0357 43 H15 2.9118 -11.6672 2.2634 H 1 UNK 0.0580 44 H16 2.4246 -10.8128 5.6890 H 1 UNK 0.0280 45 H17 3.4371 -12.1319 6.2255 H 1 UNK 0.0280 46 H18 1.7162 -12.3708 6.0404 H 1 UNK 0.0280 47 H19 3.2690 -16.6303 5.3465 H 1 UNK 0.0661 48 H20 4.2255 -16.0806 3.9915 H 1 UNK 0.0661 49 H21 2.5045 -16.3194 3.8064 H 1 UNK 0.0661 50 H22 4.6071 -10.2995 1.8828 H 1 UNK 0.0235 51 H23 5.5728 -9.8116 3.2548 H 1 UNK 0.0235 52 H24 5.3269 -8.7079 1.9227 H 1 UNK 0.0235 53 H25 2.9189 -7.4398 4.5638 H 1 UNK 0.0235 54 H26 4.2769 -6.9293 3.5901 H 1 UNK 0.0235 55 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 25 1 18 16 17 1 19 17 18 1 20 17 25 1 21 18 19 2 22 19 20 1 23 19 21 1 24 21 22 2 25 21 23 1 26 23 24 1 27 25 26 1 28 25 27 1 29 1 28 1 30 1 29 1 31 2 30 1 32 3 31 1 33 4 32 1 34 5 33 1 35 5 34 1 36 8 35 1 37 8 36 1 38 8 37 1 39 9 38 1 40 10 39 1 41 10 40 1 42 16 41 1 43 17 42 1 44 18 43 1 45 20 44 1 46 20 45 1 47 20 46 1 48 24 47 1 49 24 48 1 50 24 49 1 51 26 50 1 52 26 51 1 53 26 52 1 54 27 53 1 55 27 54 1 56 27 55 1