@MOLECULE FDBD02295 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5837 -1.8735 6.5922 C.3 1 UNK -0.0440 2 C1 -0.9117 -1.7358 6.7183 C.2 1 UNK -0.0793 3 C2 -1.5565 -0.8795 5.9652 C.2 1 UNK -0.0809 4 C3 -0.8028 -0.0320 4.9729 C.3 1 UNK -0.0033 5 C4 -1.6247 0.7966 3.9835 C.3 1 UNK 0.0688 6 C5 -3.1259 0.7022 4.0755 C.2 1 UNK 0.3116 7 O -3.7683 1.6503 4.4607 O.2 1 UNK -0.2505 8 O1 -3.7494 -0.4350 3.7296 O.3 1 UNK -0.4595 9 C6 -5.1968 -0.4542 3.8434 C.3 1 UNK 0.1204 10 C7 -5.7166 -1.8023 3.4151 C.ar 1 UNK 0.0277 11 C8 -6.0908 -2.1840 2.1062 C.ar 1 UNK -0.0140 12 C9 -6.4933 -3.4657 2.1742 C.ar 1 UNK 0.1095 13 C10 -6.9839 -4.2979 1.0175 C.3 1 UNK 0.0307 14 C11 -5.8176 -5.0063 0.3780 C.ar 1 UNK -0.0401 15 C12 -5.1186 -4.3991 -0.6485 C.ar 1 UNK -0.0582 16 C13 -4.0488 -5.0489 -1.2351 C.ar 1 UNK -0.0615 17 C14 -3.6777 -6.3057 -0.7950 C.ar 1 UNK -0.0617 18 C15 -4.3761 -6.9125 0.2321 C.ar 1 UNK -0.0615 19 C16 -5.4433 -6.2609 0.8216 C.ar 1 UNK -0.0582 20 O2 -6.3833 -3.8782 3.4475 O.2 1 UNK -0.4671 21 C17 -5.9080 -2.8751 4.2037 C.ar 1 UNK 0.0985 22 C18 -0.8873 1.4872 5.1334 C.3 1 UNK -0.0144 23 C19 -1.7308 2.0299 6.2888 C.3 1 UNK -0.0585 24 C20 0.3579 2.3049 4.7842 C.3 1 UNK -0.0585 25 C21 -1.6654 -2.5833 7.7106 C.3 1 UNK -0.0440 26 H 0.9423 -1.1978 5.8441 H 1 UNK 0.0274 27 H1 0.8271 -2.8772 6.3124 H 1 UNK 0.0274 28 H2 1.0435 -1.6433 7.5306 H 1 UNK 0.0274 29 H3 -2.5806 -0.7853 6.0515 H 1 UNK 0.0575 30 H4 -0.0060 -0.7410 4.8878 H 1 UNK 0.0356 31 H5 -1.6413 0.9082 2.9195 H 1 UNK 0.0425 32 H6 -5.6140 0.3049 3.2153 H 1 UNK 0.0750 33 H7 -5.4771 -0.2703 4.8595 H 1 UNK 0.0750 34 H8 -6.0609 -1.5928 1.2609 H 1 UNK 0.0656 35 H9 -7.4549 -3.6634 0.2961 H 1 UNK 0.0392 36 H10 -7.6893 -5.0203 1.3717 H 1 UNK 0.0392 37 H11 -5.3954 -3.4607 -0.9769 H 1 UNK 0.0620 38 H12 -3.5271 -4.5957 -2.0016 H 1 UNK 0.0618 39 H13 -2.8793 -6.7910 -1.2332 H 1 UNK 0.0618 40 H14 -4.1008 -7.8519 0.5588 H 1 UNK 0.0618 41 H15 -5.9606 -6.7111 1.5928 H 1 UNK 0.0620 42 H16 -5.7213 -2.9198 5.2177 H 1 UNK 0.1033 43 H17 -2.5715 1.3877 6.4490 H 1 UNK 0.0235 44 H18 -2.0746 3.0141 6.0478 H 1 UNK 0.0235 45 H19 -1.1362 2.0675 7.1776 H 1 UNK 0.0235 46 H20 0.8720 1.8410 3.9685 H 1 UNK 0.0235 47 H21 1.0055 2.3494 5.6348 H 1 UNK 0.0235 48 H22 0.0670 3.2961 4.5051 H 1 UNK 0.0235 49 H23 -0.9792 -3.2178 8.2316 H 1 UNK 0.0274 50 H24 -2.3841 -3.1839 7.1934 H 1 UNK 0.0274 51 H25 -2.1680 -1.9500 8.4114 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