@MOLECULE FDBD02287 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C 7.6763 4.4584 4.6562 C.1 1 UNK -0.1188 2 C1 6.5940 4.0568 4.4424 C.1 1 UNK -0.1008 3 C2 5.2370 3.5534 4.1744 C.3 1 UNK 0.0373 4 C3 5.0414 3.4034 2.6877 C.2 1 UNK 0.0093 5 C4 5.2224 2.2672 2.0300 C.2 1 UNK -0.0249 6 C5 5.6464 0.9668 2.6627 C.3 1 UNK -0.0396 7 C6 4.9444 2.4573 0.5599 C.3 1 UNK 0.1315 8 C7 4.5497 3.9364 0.4024 C.3 1 UNK 0.0512 9 C8 4.6251 4.4908 1.8089 C.2 1 UNK 0.1640 10 O 4.3897 5.6331 2.1432 O.2 1 UNK -0.2922 11 O1 6.1364 2.1701 -0.2178 O.3 1 UNK -0.4562 12 C9 5.9540 1.6913 -1.4584 C.2 1 UNK 0.3119 13 O2 4.8352 1.5178 -1.8806 O.2 1 UNK -0.2505 14 C10 7.1445 1.3700 -2.3248 C.3 1 UNK 0.0688 15 C11 7.0992 1.8253 -3.7847 C.3 1 UNK -0.0033 16 C12 5.8675 2.5607 -4.2464 C.2 1 UNK -0.0809 17 C13 5.0779 2.0193 -5.1406 C.2 1 UNK -0.0793 18 C14 5.3226 0.6068 -5.6052 C.3 1 UNK -0.0440 19 C15 3.9250 2.8090 -5.7046 C.3 1 UNK -0.0440 20 C16 8.0162 2.5385 -2.7891 C.3 1 UNK -0.0144 21 C17 7.6125 3.9438 -2.3383 C.3 1 UNK -0.0585 22 C18 9.5211 2.2917 -2.9127 C.3 1 UNK -0.0585 23 H 8.5926 4.7984 4.8372 H 1 UNK 0.1228 24 H1 4.5174 4.2446 4.5609 H 1 UNK 0.0447 25 H2 5.1091 2.6028 4.6487 H 1 UNK 0.0447 26 H3 5.7762 1.1080 3.7154 H 1 UNK 0.0276 27 H4 6.5700 0.6439 2.2296 H 1 UNK 0.0276 28 H5 4.8940 0.2253 2.4924 H 1 UNK 0.0276 29 H6 4.1735 1.8012 0.2132 H 1 UNK 0.0786 30 H7 3.5575 4.0252 0.0119 H 1 UNK 0.0385 31 H8 5.1856 4.4605 -0.2801 H 1 UNK 0.0385 32 H9 7.3267 0.4406 -1.8269 H 1 UNK 0.0425 33 H10 7.2365 1.3465 -4.7317 H 1 UNK 0.0356 34 H11 5.6460 3.4909 -3.8581 H 1 UNK 0.0575 35 H12 6.1771 0.2080 -5.0996 H 1 UNK 0.0274 36 H13 5.4991 0.6040 -6.6605 H 1 UNK 0.0274 37 H14 4.4653 0.0055 -5.3854 H 1 UNK 0.0274 38 H15 3.9086 3.7825 -5.2609 H 1 UNK 0.0274 39 H16 3.0070 2.3033 -5.4891 H 1 UNK 0.0274 40 H17 4.0408 2.9019 -6.7643 H 1 UNK 0.0274 41 H18 6.5458 4.0086 -2.2850 H 1 UNK 0.0235 42 H19 7.9789 4.6628 -3.0410 H 1 UNK 0.0235 43 H20 8.0305 4.1428 -1.3736 H 1 UNK 0.0235 44 H21 9.6924 1.2849 -3.2320 H 1 UNK 0.0235 45 H22 9.9875 2.4488 -1.9626 H 1 UNK 0.0235 46 H23 9.9359 2.9688 -3.6299 H 1 UNK 0.0235 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 4 9 1 5 4 5 2 6 5 6 1 7 5 7 1 8 7 8 1 9 7 11 1 10 8 9 1 11 9 10 2 12 11 12 1 13 12 13 2 14 12 14 1 15 14 20 1 16 14 15 1 17 15 16 1 18 15 20 1 19 16 17 2 20 17 18 1 21 17 19 1 22 20 21 1 23 20 22 1 24 1 23 1 25 3 24 1 26 3 25 1 27 6 26 1 28 6 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 8 31 1 33 14 32 1 34 15 33 1 35 16 34 1 36 18 35 1 37 18 36 1 38 18 37 1 39 19 38 1 40 19 39 1 41 19 40 1 42 21 41 1 43 21 42 1 44 21 43 1 45 22 44 1 46 22 45 1 47 22 46 1