@MOLECULE FDBD01861 58 62 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.7844 0.9144 -0.0303 C.3 1 UNK -0.0546 2 C1 -0.5617 -0.5972 0.0948 C.3 1 UNK 0.0254 3 C2 -1.8709 -1.3090 0.4406 C.3 1 UNK -0.0546 4 C3 0.0273 -1.1558 -1.2309 C.3 1 UNK 0.0935 5 C4 1.1525 -2.1478 -0.8415 C.3 1 UNK 0.0940 6 C5 1.1448 -2.2045 0.6887 C.3 1 UNK 0.0483 7 C6 2.4525 -2.5657 1.3426 C.3 1 UNK 0.0747 8 C7 3.2532 -3.2831 0.2134 C.3 1 UNK -0.0354 9 C8 3.3160 -1.4549 1.9033 C.3 1 UNK -0.0038 10 C9 4.7204 -2.0206 2.2243 C.3 1 UNK -0.0466 11 C10 4.7021 -2.8923 3.4692 C.3 1 UNK -0.0449 12 C11 4.0768 -2.2041 4.6839 C.3 1 UNK 0.0142 13 C12 2.6035 -1.8433 4.3127 C.3 1 UNK 0.0668 14 C13 2.8350 -0.8108 3.2055 C.3 1 UNK 0.0075 15 C14 1.6690 0.1489 3.0377 C.3 1 UNK -0.0157 16 C15 0.4132 -0.5753 2.5408 C.3 1 UNK 0.0855 17 C16 0.5075 -0.9039 1.1236 C.3 1 UNK 0.1071 18 O 1.4831 0.0213 0.6660 O.3 1 UNK -0.3849 19 O1 -0.7353 0.2286 2.8103 O.3 1 UNK -0.3889 20 C17 4.0233 0.0474 3.7488 C.3 1 UNK -0.0155 21 C18 4.6920 -0.7947 4.8493 C.3 1 UNK 0.0691 22 C19 6.2098 -0.8008 4.7333 C.3 1 UNK -0.0357 23 O2 4.3291 -0.2647 6.1356 O.3 1 UNK -0.3885 24 O3 1.9606 -1.2236 5.4436 O.3 1 UNK -0.3909 25 O4 2.1870 -3.5987 2.3006 O.3 1 UNK -0.3881 26 O5 1.4062 -0.9157 -1.5108 O.3 1 UNK -0.3671 27 H -1.1897 1.2922 0.8851 H 1 UNK 0.0237 28 H1 -1.4678 1.1092 -0.8302 H 1 UNK 0.0237 29 H2 0.1489 1.3968 -0.2331 H 1 UNK 0.0237 30 H3 -2.2618 -0.9127 1.3544 H 1 UNK 0.0237 31 H4 -1.6875 -2.3569 0.5558 H 1 UNK 0.0237 32 H5 -2.5791 -1.1553 -0.3466 H 1 UNK 0.0237 33 H6 -0.8506 -1.0806 -1.8379 H 1 UNK 0.0628 34 H7 1.5240 -3.1337 -1.0285 H 1 UNK 0.0627 35 H8 0.5722 -3.0372 1.0403 H 1 UNK 0.0384 36 H9 3.4968 -2.5784 -0.5540 H 1 UNK 0.0257 37 H10 2.6583 -4.0701 -0.2009 H 1 UNK 0.0257 38 H11 4.1539 -3.6931 0.6201 H 1 UNK 0.0257 39 H12 3.2906 -0.7041 1.1413 H 1 UNK 0.0335 40 H13 5.3954 -1.2054 2.3813 H 1 UNK 0.0269 41 H14 5.0347 -2.6238 1.3983 H 1 UNK 0.0269 42 H15 5.7097 -3.1585 3.7116 H 1 UNK 0.0270 43 H16 4.0999 -3.7483 3.2465 H 1 UNK 0.0270 44 H17 4.2028 -2.8409 5.5345 H 1 UNK 0.0354 45 H18 1.9885 -2.6715 4.0285 H 1 UNK 0.0602 46 H19 1.9389 0.9034 2.3286 H 1 UNK 0.0297 47 H20 1.4513 0.5830 3.9912 H 1 UNK 0.0297 48 H21 0.3220 -1.5029 3.0663 H 1 UNK 0.0622 49 H22 1.6302 -0.1074 -0.2841 H 1 UNK 0.2103 50 H23 -0.6585 1.0714 2.3363 H 1 UNK 0.2099 51 H24 3.6605 0.9683 4.1552 H 1 UNK 0.0299 52 H25 4.7153 0.2927 2.9705 H 1 UNK 0.0299 53 H26 6.4930 -1.1936 3.7791 H 1 UNK 0.0257 54 H27 6.6242 -1.4118 5.5078 H 1 UNK 0.0257 55 H28 6.5790 0.1987 4.8315 H 1 UNK 0.0257 56 H29 3.3629 -0.2560 6.2208 H 1 UNK 0.2102 57 H30 2.4860 -0.4630 5.7374 H 1 UNK 0.2098 58 H31 1.6328 -4.2827 1.8933 H 1 UNK 0.2102 @BOND 1 1 2 1 2 2 17 1 3 2 3 1 4 2 4 1 5 4 26 1 6 4 5 1 7 5 6 1 8 5 26 1 9 6 17 1 10 6 7 1 11 7 8 1 12 7 9 1 13 7 25 1 14 9 14 1 15 9 10 1 16 10 11 1 17 11 12 1 18 12 21 1 19 12 13 1 20 13 14 1 21 13 24 1 22 14 15 1 23 14 20 1 24 15 16 1 25 16 17 1 26 16 19 1 27 17 18 1 28 20 21 1 29 21 22 1 30 21 23 1 31 1 27 1 32 1 28 1 33 1 29 1 34 3 30 1 35 3 31 1 36 3 32 1 37 4 33 1 38 5 34 1 39 6 35 1 40 8 36 1 41 8 37 1 42 8 38 1 43 9 39 1 44 10 40 1 45 10 41 1 46 11 42 1 47 11 43 1 48 12 44 1 49 13 45 1 50 15 46 1 51 15 47 1 52 16 48 1 53 18 49 1 54 19 50 1 55 20 51 1 56 20 52 1 57 22 53 1 58 22 54 1 59 22 55 1 60 23 56 1 61 24 57 1 62 25 58 1