@MOLECULE FDBD02272 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7135 1.9058 3.2876 C.3 1 UNK -0.0440 2 C1 -3.6922 0.6351 2.4777 C.2 1 UNK -0.0793 3 C2 -2.5903 -0.0679 2.3908 C.2 1 UNK -0.0809 4 C3 -1.3439 0.3941 3.1008 C.3 1 UNK -0.0033 5 C4 -0.1516 -0.5644 3.1308 C.3 1 UNK 0.0688 6 C5 -0.3136 -1.8980 2.4481 C.2 1 UNK 0.3119 7 O 0.2840 -2.1289 1.4237 O.2 1 UNK -0.2505 8 O1 -1.1218 -2.8295 2.9781 O.3 1 UNK -0.4562 9 C6 -1.2296 -4.0907 2.2667 C.3 1 UNK 0.1315 10 C7 -0.2270 -5.1101 2.8358 C.3 1 UNK 0.0512 11 C8 -1.0969 -6.2394 3.3450 C.2 1 UNK 0.1635 12 O2 -0.7101 -7.2591 3.8766 O.2 1 UNK -0.2922 13 C9 -2.4851 -5.8780 3.0800 C.2 1 UNK 0.0049 14 C10 -2.5925 -4.6983 2.4858 C.2 1 UNK -0.0254 15 C11 -3.8944 -4.0539 2.0850 C.3 1 UNK -0.0397 16 C12 -3.6625 -6.7468 3.4405 C.3 1 UNK 0.0340 17 C13 -3.9000 -7.7517 2.3429 C.ar 1 UNK 0.1092 18 C14 -3.3576 -8.9805 2.2705 C.ar 1 UNK -0.0204 19 C15 -3.8488 -9.5759 1.0860 C.ar 1 UNK -0.0236 20 C16 -4.6620 -8.6754 0.5054 C.ar 1 UNK 0.0921 21 O3 -4.6938 -7.5746 1.2741 O.2 1 UNK -0.4675 22 C17 -0.1089 0.6822 2.2447 C.3 1 UNK -0.0144 23 C18 -0.2340 0.4794 0.7334 C.3 1 UNK -0.0585 24 C19 0.8027 1.8300 2.6835 C.3 1 UNK -0.0585 25 C20 -4.9387 0.1732 1.7677 C.3 1 UNK -0.0440 26 H -2.7469 2.0725 3.7151 H 1 UNK 0.0274 27 H1 -4.4389 1.8184 4.0693 H 1 UNK 0.0274 28 H2 -3.9698 2.7287 2.6535 H 1 UNK 0.0274 29 H3 -2.5757 -0.9381 1.8362 H 1 UNK 0.0575 30 H4 -1.8976 0.9371 3.8380 H 1 UNK 0.0356 31 H5 0.4746 -0.9700 3.8978 H 1 UNK 0.0425 32 H6 -1.0464 -3.8882 1.2321 H 1 UNK 0.0786 33 H7 0.3413 -4.6792 3.6334 H 1 UNK 0.0385 34 H8 0.4847 -5.4369 2.1067 H 1 UNK 0.0385 35 H9 -3.6975 -3.1077 1.6258 H 1 UNK 0.0276 36 H10 -4.5029 -3.9093 2.9532 H 1 UNK 0.0276 37 H11 -4.4072 -4.6871 1.3915 H 1 UNK 0.0276 38 H12 -4.5331 -6.1362 3.5596 H 1 UNK 0.0393 39 H13 -3.4593 -7.2607 4.3567 H 1 UNK 0.0393 40 H14 -2.7076 -9.4068 2.9493 H 1 UNK 0.0652 41 H15 -3.6262 -10.5202 0.7343 H 1 UNK 0.0649 42 H16 -5.1745 -8.8079 -0.3805 H 1 UNK 0.1029 43 H17 -0.8900 -0.3428 0.5370 H 1 UNK 0.0235 44 H18 0.7310 0.2723 0.3202 H 1 UNK 0.0235 45 H19 -0.6306 1.3668 0.2861 H 1 UNK 0.0235 46 H20 0.8192 1.8839 3.7520 H 1 UNK 0.0235 47 H21 0.4324 2.7517 2.2856 H 1 UNK 0.0235 48 H22 1.7940 1.6572 2.3198 H 1 UNK 0.0235 49 H23 -5.7318 0.8676 1.9514 H 1 UNK 0.0274 50 H24 -5.2192 -0.7931 2.1317 H 1 UNK 0.0274 51 H25 -4.7501 0.1172 0.7159 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 25 1 4 3 4 1 5 4 22 1 6 4 5 1 7 5 6 1 8 5 22 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 14 1 13 9 10 1 14 10 11 1 15 11 12 2 16 11 13 1 17 13 14 2 18 13 16 1 19 14 15 1 20 16 17 1 21 17 21 ar 22 17 18 ar 23 18 19 ar 24 19 20 ar 25 20 21 ar 26 22 23 1 27 22 24 1 28 1 26 1 29 1 27 1 30 1 28 1 31 3 29 1 32 4 30 1 33 5 31 1 34 9 32 1 35 10 33 1 36 10 34 1 37 15 35 1 38 15 36 1 39 15 37 1 40 16 38 1 41 16 39 1 42 18 40 1 43 19 41 1 44 20 42 1 45 23 43 1 46 23 44 1 47 23 45 1 48 24 46 1 49 24 47 1 50 24 48 1 51 25 49 1 52 25 50 1 53 25 51 1