@MOLECULE FDBD02277 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.0502 -0.2598 3.0961 C.3 1 UNK -0.0440 2 C1 2.0841 -1.5740 2.3595 C.2 1 UNK -0.0793 3 C2 2.5587 -1.6291 1.1397 C.2 1 UNK -0.0809 4 C3 2.9552 -0.3616 0.4275 C.3 1 UNK -0.0033 5 C4 3.5746 -0.4978 -0.9649 C.3 1 UNK 0.0688 6 C5 3.7415 -1.8892 -1.5191 C.2 1 UNK 0.3116 7 O 3.0944 -2.2393 -2.4775 O.2 1 UNK -0.2505 8 O1 4.6091 -2.7395 -0.9481 O.3 1 UNK -0.4597 9 C6 4.7178 -4.0632 -1.5348 C.3 1 UNK 0.1175 10 C7 5.7318 -4.8713 -0.7669 C.ar 1 UNK -0.0103 11 C8 7.0628 -4.8438 -1.1391 C.ar 1 UNK -0.0550 12 C9 7.9930 -5.5850 -0.4347 C.ar 1 UNK -0.0560 13 C10 7.5922 -6.3535 0.6422 C.ar 1 UNK -0.0219 14 C11 6.2613 -6.3803 1.0150 C.ar 1 UNK -0.0560 15 C12 5.3319 -5.6357 0.3132 C.ar 1 UNK -0.0550 16 C13 8.6061 -7.1624 1.4096 C.3 1 UNK 0.0723 17 O2 9.1367 -6.3730 2.4761 O.3 1 UNK -0.3784 18 C14 10.1127 -7.0501 3.2704 C.3 1 UNK 0.0369 19 C15 2.1486 0.0349 -0.8107 C.3 1 UNK -0.0144 20 C16 1.0013 -0.8858 -1.2311 C.3 1 UNK -0.0585 21 C17 1.9216 1.5277 -1.0578 C.3 1 UNK -0.0585 22 C18 1.5720 -2.8249 3.0259 C.3 1 UNK -0.0440 23 H 2.4511 0.5101 2.4705 H 1 UNK 0.0274 24 H1 2.6361 -0.3357 3.9882 H 1 UNK 0.0274 25 H2 1.0393 -0.0207 3.3526 H 1 UNK 0.0274 26 H3 2.6610 -2.5405 0.6665 H 1 UNK 0.0575 27 H4 3.2363 0.1277 1.3366 H 1 UNK 0.0356 28 H5 4.4687 -0.1433 -1.4338 H 1 UNK 0.0425 29 H6 5.0291 -3.9767 -2.5548 H 1 UNK 0.0749 30 H7 3.7666 -4.5513 -1.4924 H 1 UNK 0.0749 31 H8 7.3620 -4.2699 -1.9429 H 1 UNK 0.0621 32 H9 8.9866 -5.5646 -0.7128 H 1 UNK 0.0621 33 H10 5.9616 -6.9562 1.8172 H 1 UNK 0.0621 34 H11 4.3394 -5.6505 0.5956 H 1 UNK 0.0621 35 H12 9.3992 -7.4550 0.7537 H 1 UNK 0.0610 36 H13 8.1355 -8.0352 1.8118 H 1 UNK 0.0610 37 H14 10.4596 -6.3963 4.0431 H 1 UNK 0.0524 38 H15 10.9365 -7.3404 2.6523 H 1 UNK 0.0524 39 H16 9.6728 -7.9206 3.7105 H 1 UNK 0.0524 40 H17 1.2616 -1.9011 -1.0159 H 1 UNK 0.0235 41 H18 0.8237 -0.7779 -2.2807 H 1 UNK 0.0235 42 H19 0.1162 -0.6223 -0.6907 H 1 UNK 0.0235 43 H20 2.7789 2.0778 -0.7302 H 1 UNK 0.0235 44 H21 1.0598 1.8524 -0.5130 H 1 UNK 0.0235 45 H22 1.7673 1.6968 -2.1030 H 1 UNK 0.0235 46 H23 1.2267 -2.5886 4.0107 H 1 UNK 0.0274 47 H24 2.3613 -3.5447 3.0878 H 1 UNK 0.0274 48 H25 0.7644 -3.2296 2.4523 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 22 1 4 3 4 1 5 4 19 1 6 4 5 1 7 5 6 1 8 5 19 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 15 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 ar 18 13 16 1 19 14 15 ar 20 16 17 1 21 17 18 1 22 19 20 1 23 19 21 1 24 1 23 1 25 1 24 1 26 1 25 1 27 3 26 1 28 4 27 1 29 5 28 1 30 9 29 1 31 9 30 1 32 11 31 1 33 12 32 1 34 14 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 18 37 1 39 18 38 1 40 18 39 1 41 20 40 1 42 20 41 1 43 20 42 1 44 21 43 1 45 21 44 1 46 21 45 1 47 22 46 1 48 22 47 1 49 22 48 1