@MOLECULE FDBD01862 51 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0157 1.3058 0.0092 C.2 1 UNK -0.0962 2 C1 0.0021 -0.0041 0.0020 C.2 1 UNK -0.0395 3 C2 -1.2926 -0.7753 0.0102 C.3 1 UNK -0.0406 4 C3 1.3172 -0.7397 -0.0145 C.3 1 UNK 0.1249 5 C4 1.4820 -1.5958 1.2669 C.3 1 UNK 0.0204 6 C5 2.1710 -2.8221 0.7334 C.ar 1 UNK 0.0404 7 C6 2.0405 -2.7977 -0.6612 C.ar 1 UNK 0.1282 8 C7 2.5974 -3.8169 -1.4458 C.ar 1 UNK -0.0187 9 C8 3.2605 -4.8302 -0.8042 C.ar 1 UNK -0.0442 10 C9 3.3851 -4.8602 0.5858 C.ar 1 UNK 0.0603 11 C10 4.0830 -5.9678 1.2553 C.2 1 UNK 0.1778 12 O 4.3838 -6.9787 0.6554 O.2 1 UNK -0.2912 13 C11 4.4099 -5.7968 2.7204 C.3 1 UNK 0.0908 14 C12 5.6644 -4.9829 2.8846 C.ar 1 UNK 0.0122 15 C13 6.7243 -5.1978 2.0183 C.ar 1 UNK -0.0088 16 C14 7.8915 -4.4661 2.1463 C.ar 1 UNK 0.1620 17 C15 8.0014 -3.5097 3.1513 C.ar 1 UNK 0.1650 18 C16 6.9432 -3.2951 4.0160 C.ar 1 UNK 0.0257 19 C17 5.7699 -4.0304 3.8846 C.ar 1 UNK 0.1283 20 O1 4.7500 -3.7832 4.7487 O.3 1 UNK -0.4879 21 C18 3.6928 -4.7398 4.8375 C.3 1 UNK 0.1273 22 C19 3.2411 -5.0769 3.4057 C.3 1 UNK 0.1478 23 O2 2.9569 -3.8468 2.7349 O.3 1 UNK -0.4833 24 C20 2.8384 -3.8353 1.3892 C.ar 1 UNK 0.1383 25 O3 9.1461 -2.7874 3.2827 O.3 1 UNK -0.4913 26 C21 9.1876 -1.8233 4.3366 C.3 1 UNK 0.0790 27 O4 8.9287 -4.6807 1.2920 O.3 1 UNK -0.4914 28 C22 8.7441 -5.6777 0.2850 C.3 1 UNK 0.0790 29 O5 1.3394 -1.7194 -1.0708 O.3 1 UNK -0.4838 30 H -0.9163 1.8096 0.0205 H 1 UNK 0.0535 31 H1 0.8709 1.8339 0.0036 H 1 UNK 0.0535 32 H2 -2.1152 -0.0911 0.0217 H 1 UNK 0.0275 33 H3 -1.3326 -1.3959 0.8809 H 1 UNK 0.0275 34 H4 -1.3493 -1.3865 -0.8662 H 1 UNK 0.0275 35 H5 2.0735 0.0098 -0.1199 H 1 UNK 0.0784 36 H6 0.5331 -1.8387 1.6975 H 1 UNK 0.0355 37 H7 2.0200 -1.1035 2.0499 H 1 UNK 0.0355 38 H8 2.5108 -3.8047 -2.4741 H 1 UNK 0.0654 39 H9 3.6784 -5.5905 -1.3630 H 1 UNK 0.0627 40 H10 4.5645 -6.7582 3.1640 H 1 UNK 0.0468 41 H11 6.6426 -5.9075 1.2736 H 1 UNK 0.0659 42 H12 7.0246 -2.5864 4.7618 H 1 UNK 0.0692 43 H13 2.8743 -4.3274 5.3897 H 1 UNK 0.0734 44 H14 4.0289 -5.6223 5.3406 H 1 UNK 0.0734 45 H15 2.3697 -5.6977 3.3908 H 1 UNK 0.0778 46 H16 10.1361 -1.3281 4.3299 H 1 UNK 0.0660 47 H17 9.0491 -2.3159 5.2763 H 1 UNK 0.0660 48 H18 8.4087 -1.1039 4.1928 H 1 UNK 0.0660 49 H19 9.6274 -5.7465 -0.3149 H 1 UNK 0.0660 50 H20 7.9128 -5.4104 -0.3334 H 1 UNK 0.0660 51 H21 8.5538 -6.6227 0.7494 H 1 UNK 0.0660 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 29 1 5 4 5 1 6 5 6 1 7 6 24 ar 8 6 7 ar 9 7 8 ar 10 7 29 1 11 8 9 ar 12 9 10 ar 13 10 24 ar 14 10 11 1 15 11 12 2 16 11 13 1 17 13 22 1 18 13 14 1 19 14 19 ar 20 14 15 ar 21 15 16 ar 22 16 17 ar 23 16 27 1 24 17 18 ar 25 17 25 1 26 18 19 ar 27 19 20 1 28 20 21 1 29 21 22 1 30 22 23 1 31 23 24 1 32 25 26 1 33 27 28 1 34 1 30 1 35 1 31 1 36 3 32 1 37 3 33 1 38 3 34 1 39 4 35 1 40 5 36 1 41 5 37 1 42 8 38 1 43 9 39 1 44 13 40 1 45 15 41 1 46 18 42 1 47 21 43 1 48 21 44 1 49 22 45 1 50 26 46 1 51 26 47 1 52 26 48 1 53 28 49 1 54 28 50 1 55 28 51 1