@MOLECULE FDBD02260 47 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0852 2.3139 0.8989 C.3 1 UNK -0.0440 2 C1 -2.5446 3.2696 1.9697 C.2 1 UNK -0.0793 3 C2 -2.0741 3.1638 3.1877 C.2 1 UNK -0.0809 4 C3 -1.0735 2.0864 3.5181 C.3 1 UNK -0.0033 5 C4 -0.4105 2.1366 4.8960 C.3 1 UNK 0.0688 6 C5 -0.8079 3.2597 5.8190 C.2 1 UNK 0.3116 7 O -1.4108 3.0194 6.8381 O.2 1 UNK -0.2505 8 O1 -0.4921 4.5269 5.5089 O.3 1 UNK -0.4596 9 C6 -0.9067 5.5573 6.4441 C.3 1 UNK 0.1178 10 C7 -0.4682 6.9055 5.9329 C.ar 1 UNK -0.0074 11 C8 0.2138 7.0019 4.7342 C.ar 1 UNK -0.0549 12 C9 0.6159 8.2384 4.2654 C.ar 1 UNK -0.0585 13 C10 0.3358 9.3788 4.9950 C.ar 1 UNK -0.0502 14 C11 0.7747 10.7269 4.4841 C.3 1 UNK -0.0397 15 C12 -0.3472 9.2826 6.1927 C.ar 1 UNK -0.0556 16 C13 -0.7528 8.0461 6.6598 C.ar 1 UNK -0.0438 17 C14 -1.4975 7.9412 7.9657 C.3 1 UNK -0.0393 18 C15 -1.4613 1.0672 4.5913 C.3 1 UNK -0.0144 19 C16 -2.8353 1.2198 5.2469 C.3 1 UNK -0.0585 20 C17 -0.9731 -0.3713 4.4087 C.3 1 UNK -0.0585 21 C18 -3.5451 4.3470 1.6393 C.3 1 UNK -0.0440 22 H -1.3807 1.6243 1.3147 H 1 UNK 0.0274 23 H1 -1.6216 2.8628 0.1060 H 1 UNK 0.0274 24 H2 -2.9271 1.7761 0.5157 H 1 UNK 0.0274 25 H3 -2.3887 3.8183 3.9210 H 1 UNK 0.0575 26 H4 -0.7205 2.0269 2.5098 H 1 UNK 0.0356 27 H5 0.5987 2.1268 5.2514 H 1 UNK 0.0425 28 H6 -0.4581 5.3745 7.3982 H 1 UNK 0.0749 29 H7 -1.9721 5.5423 6.5421 H 1 UNK 0.0749 30 H8 0.4227 6.1506 4.1894 H 1 UNK 0.0622 31 H9 1.1252 8.3104 3.3707 H 1 UNK 0.0620 32 H10 1.2846 10.6060 3.5512 H 1 UNK 0.0278 33 H11 1.4338 11.1803 5.1947 H 1 UNK 0.0278 34 H12 -0.0826 11.3515 4.3437 H 1 UNK 0.0278 35 H13 -0.5544 10.1337 6.7383 H 1 UNK 0.0623 36 H14 -1.7277 6.9152 8.1636 H 1 UNK 0.0278 37 H15 -2.4049 8.5050 7.9051 H 1 UNK 0.0278 38 H16 -0.8887 8.3289 8.7556 H 1 UNK 0.0278 39 H17 -3.0791 2.2586 5.3265 H 1 UNK 0.0235 40 H18 -2.8152 0.7824 6.2232 H 1 UNK 0.0235 41 H19 -3.5724 0.7251 4.6495 H 1 UNK 0.0235 42 H20 -0.0090 -0.3646 3.9446 H 1 UNK 0.0235 43 H21 -1.6630 -0.9063 3.7901 H 1 UNK 0.0235 44 H22 -0.9058 -0.8491 5.3637 H 1 UNK 0.0235 45 H23 -3.8135 4.2796 0.6057 H 1 UNK 0.0274 46 H24 -3.1133 5.3065 1.8338 H 1 UNK 0.0274 47 H25 -4.4188 4.2199 2.2437 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 21 1 4 3 4 1 5 4 18 1 6 4 5 1 7 5 6 1 8 5 18 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 16 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 1 18 13 15 ar 19 15 16 ar 20 16 17 1 21 18 19 1 22 18 20 1 23 1 22 1 24 1 23 1 25 1 24 1 26 3 25 1 27 4 26 1 28 5 27 1 29 9 28 1 30 9 29 1 31 11 30 1 32 12 31 1 33 14 32 1 34 14 33 1 35 14 34 1 36 15 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 19 39 1 41 19 40 1 42 19 41 1 43 20 42 1 44 20 43 1 45 20 44 1 46 21 45 1 47 21 46 1 48 21 47 1