@MOLECULE FDBD02293 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5538 -1.9264 4.8616 C.3 1 UNK -0.0440 2 C1 3.4622 -0.7393 5.0528 C.2 1 UNK -0.0793 3 C2 3.0146 0.4710 4.8274 C.2 1 UNK -0.0809 4 C3 1.5913 0.6763 4.3767 C.3 1 UNK -0.0033 5 C4 1.0670 2.1127 4.3245 C.3 1 UNK 0.0688 6 C5 2.0134 3.2140 4.7277 C.2 1 UNK 0.3116 7 O 3.0973 3.3020 4.2010 O.2 1 UNK -0.2505 8 O1 1.6523 4.0970 5.6719 O.3 1 UNK -0.4595 9 C6 2.6141 5.1310 6.0098 C.3 1 UNK 0.1204 10 C7 2.0384 6.0223 7.0799 C.ar 1 UNK 0.0277 11 C8 1.2685 7.1909 6.8789 C.ar 1 UNK -0.0140 12 C9 0.9633 7.6711 8.0978 C.ar 1 UNK 0.1095 13 C10 0.1515 8.9090 8.3795 C.3 1 UNK 0.0307 14 C11 -1.3061 8.5409 8.4837 C.ar 1 UNK -0.0401 15 C12 -2.1035 8.5489 7.3546 C.ar 1 UNK -0.0582 16 C13 -3.4405 8.2112 7.4502 C.ar 1 UNK -0.0615 17 C14 -3.9801 7.8652 8.6749 C.ar 1 UNK -0.0617 18 C15 -3.1826 7.8563 9.8039 C.ar 1 UNK -0.0615 19 C16 -1.8445 8.1899 9.7076 C.ar 1 UNK -0.0582 20 O2 1.5045 6.8597 9.0212 O.2 1 UNK -0.4671 21 C17 2.1534 5.8553 8.4097 C.ar 1 UNK 0.0985 22 C18 1.3695 1.3611 3.0267 C.3 1 UNK -0.0144 23 C19 2.6098 1.7851 2.2374 C.3 1 UNK -0.0585 24 C20 0.1790 0.8960 2.1857 C.3 1 UNK -0.0585 25 C21 4.8856 -0.9446 5.5035 C.3 1 UNK -0.0440 26 H 1.5897 -1.5899 4.5419 H 1 UNK 0.0274 27 H1 2.4583 -2.4551 5.7869 H 1 UNK 0.0274 28 H2 2.9684 -2.5770 4.1202 H 1 UNK 0.0274 29 H3 3.6367 1.2839 4.9585 H 1 UNK 0.0575 30 H4 1.2582 -0.2354 4.8270 H 1 UNK 0.0356 31 H5 0.2150 2.6227 4.7231 H 1 UNK 0.0425 32 H6 2.8318 5.7138 5.1393 H 1 UNK 0.0750 33 H7 3.5139 4.6773 6.3695 H 1 UNK 0.0750 34 H8 0.9934 7.5975 5.9712 H 1 UNK 0.0656 35 H9 0.2858 9.6122 7.5843 H 1 UNK 0.0392 36 H10 0.4757 9.3461 9.3007 H 1 UNK 0.0392 37 H11 -1.7006 8.8070 6.4402 H 1 UNK 0.0620 38 H12 -4.0358 8.2174 6.6072 H 1 UNK 0.0618 39 H13 -4.9784 7.6135 8.7463 H 1 UNK 0.0618 40 H14 -3.5861 7.6006 10.7187 H 1 UNK 0.0618 41 H15 -1.2476 8.1769 10.5493 H 1 UNK 0.0620 42 H16 2.6551 5.0859 8.8802 H 1 UNK 0.1033 43 H17 3.3779 2.0902 2.9169 H 1 UNK 0.0235 44 H18 2.3600 2.6010 1.5918 H 1 UNK 0.0235 45 H19 2.9588 0.9606 1.6515 H 1 UNK 0.0235 46 H20 -0.6296 0.6244 2.8317 H 1 UNK 0.0235 47 H21 0.4664 0.0490 1.5985 H 1 UNK 0.0235 48 H22 -0.1324 1.6894 1.5388 H 1 UNK 0.0235 49 H23 5.0704 -1.9901 5.6364 H 1 UNK 0.0274 50 H24 5.0434 -0.4339 6.4304 H 1 UNK 0.0274 51 H25 5.5536 -0.5556 4.7637 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 10 1 13 10 21 ar 14 10 11 ar 15 11 12 ar 16 12 13 1 17 12 20 ar 18 13 14 1 19 14 19 ar 20 14 15 ar 21 15 16 ar 22 16 17 ar 23 17 18 ar 24 18 19 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 9 33 1 36 11 34 1 37 13 35 1 38 13 36 1 39 15 37 1 40 16 38 1 41 17 39 1 42 18 40 1 43 19 41 1 44 21 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