@MOLECULE FDBD01854 51 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0607 1.9660 0.1313 C.3 1 UNK -0.0468 2 C1 0.1456 0.4641 0.0409 C.2 1 UNK -0.0907 3 C2 0.7395 -0.2166 0.9896 C.2 1 UNK -0.0838 4 C3 1.3378 0.5021 2.1713 C.3 1 UNK -0.0061 5 C4 0.7652 -0.0630 3.4456 C.2 1 UNK 0.0013 6 C5 1.3514 -1.0119 4.1614 C.2 1 UNK -0.0255 7 C6 2.6656 -1.6621 3.8133 C.3 1 UNK -0.0397 8 C7 0.5197 -1.3498 5.3733 C.3 1 UNK 0.1315 9 C8 -0.7140 -0.4331 5.2959 C.3 1 UNK 0.0512 10 C9 -0.4945 0.3761 4.0355 C.2 1 UNK 0.1634 11 O -1.2352 1.2289 3.5926 O.2 1 UNK -0.2922 12 O1 1.2701 -1.0830 6.5875 O.3 1 UNK -0.4562 13 C10 0.9925 -1.8470 7.6557 C.2 1 UNK 0.3119 14 O2 0.1504 -2.7100 7.5787 O.2 1 UNK -0.2505 15 C11 1.7312 -1.6282 8.9509 C.3 1 UNK 0.0688 16 C12 1.0057 -1.9917 10.2480 C.3 1 UNK -0.0033 17 C13 1.8340 -2.5540 11.3744 C.2 1 UNK -0.0809 18 C14 1.2469 -3.0380 12.4408 C.2 1 UNK -0.0793 19 C15 -0.2567 -3.0326 12.5411 C.3 1 UNK -0.0440 20 C16 2.0752 -3.6002 13.5673 C.3 1 UNK -0.0440 21 C17 1.2211 -0.5223 9.8770 C.3 1 UNK -0.0144 22 C18 2.2608 0.2636 10.6785 C.3 1 UNK -0.0585 23 C19 -0.0002 0.2766 9.4176 C.3 1 UNK -0.0585 24 H -0.4547 2.3463 -0.7258 H 1 UNK 0.0272 25 H1 1.0478 2.3776 0.1657 H 1 UNK 0.0272 26 H2 -0.4713 2.2404 1.0182 H 1 UNK 0.0272 27 H3 -0.2641 -0.0281 -0.7683 H 1 UNK 0.0566 28 H4 0.7976 -1.2451 0.9277 H 1 UNK 0.0572 29 H5 1.1073 1.5451 2.1085 H 1 UNK 0.0357 30 H6 2.3997 0.3706 2.1684 H 1 UNK 0.0357 31 H7 3.0436 -1.2391 2.9060 H 1 UNK 0.0276 32 H8 2.5196 -2.7140 3.6827 H 1 UNK 0.0276 33 H9 3.3668 -1.4948 4.6040 H 1 UNK 0.0276 34 H10 0.2450 -2.3838 5.3915 H 1 UNK 0.0786 35 H11 -0.7670 0.2055 6.1528 H 1 UNK 0.0385 36 H12 -1.6325 -0.9816 5.2769 H 1 UNK 0.0385 37 H13 2.6777 -1.8762 8.5179 H 1 UNK 0.0425 38 H14 0.1565 -2.5928 10.4979 H 1 UNK 0.0356 39 H15 2.8637 -2.5578 11.3057 H 1 UNK 0.0575 40 H16 -0.6717 -2.5989 11.6553 H 1 UNK 0.0274 41 H17 -0.5553 -2.4583 13.3931 H 1 UNK 0.0274 42 H18 -0.6108 -4.0368 12.6461 H 1 UNK 0.0274 43 H19 3.1134 -3.5202 13.3210 H 1 UNK 0.0274 44 H20 1.8224 -4.6291 13.7168 H 1 UNK 0.0274 45 H21 1.8779 -3.0505 14.4639 H 1 UNK 0.0274 46 H22 3.0679 -0.3850 10.9483 H 1 UNK 0.0235 47 H23 1.8065 0.6553 11.5645 H 1 UNK 0.0235 48 H24 2.6351 1.0701 10.0831 H 1 UNK 0.0235 49 H25 -0.6596 -0.3635 8.8696 H 1 UNK 0.0235 50 H26 0.3167 1.0834 8.7903 H 1 UNK 0.0235 51 H27 -0.5118 0.6687 10.2717 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 21 1 17 15 16 1 18 16 17 1 19 16 21 1 20 17 18 2 21 18 19 1 22 18 20 1 23 21 22 1 24 21 23 1 25 1 24 1 26 1 25 1 27 1 26 1 28 2 27 1 29 3 28 1 30 4 29 1 31 4 30 1 32 7 31 1 33 7 32 1 34 7 33 1 35 8 34 1 36 9 35 1 37 9 36 1 38 15 37 1 39 16 38 1 40 17 39 1 41 19 40 1 42 19 41 1 43 19 42 1 44 20 43 1 45 20 44 1 46 20 45 1 47 22 46 1 48 22 47 1 49 22 48 1 50 23 49 1 51 23 50 1 52 23 51 1