@MOLECULE FDBD03025 43 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0173 1.4248 0.0099 C.3 1 UNK 0.0790 2 O 0.0021 -0.0041 0.0020 O.3 1 UNK -0.4914 3 C1 -1.2014 -0.6380 0.0101 C.ar 1 UNK 0.1623 4 C2 -2.3767 0.1143 0.0196 C.ar 1 UNK -0.0157 5 C3 -3.5974 -0.4909 0.0339 C.ar 1 UNK -0.0499 6 C4 -3.6810 -1.8904 0.0406 C.ar 1 UNK -0.0022 7 C5 -4.9108 -2.5663 0.0803 C.ar 1 UNK 0.0183 8 C6 -4.9153 -3.9493 0.0832 C.ar 1 UNK 0.2159 9 C7 -6.2171 -4.6620 0.1630 C.ar 1 UNK 0.0533 10 C8 -7.4029 -3.9665 -0.1002 C.ar 1 UNK -0.0025 11 C9 -8.5856 -4.6845 -0.0241 C.ar 1 UNK 0.1670 12 C10 -8.5889 -6.0513 0.3012 C.ar 1 UNK 0.1665 13 C11 -7.4082 -6.7346 0.5663 C.ar 1 UNK -0.0120 14 C12 -6.2271 -6.0135 0.4981 C.ar 1 UNK -0.0243 15 C13 -4.9174 -6.6929 0.8127 C.3 1 UNK 0.0330 16 C14 -3.8148 -6.1183 -0.0701 C.3 1 UNK 0.1550 17 N -3.7801 -4.6539 0.0076 N.ar 1 UNK -0.1961 18 C15 -2.6020 -4.0658 -0.0078 C.ar 1 UNK 0.1831 19 C16 -2.4930 -2.6692 0.0145 C.ar 1 UNK 0.0909 20 C17 -1.2452 -2.0193 0.0031 C.ar 1 UNK 0.1748 21 O1 -0.0948 -2.7424 -0.0099 O.3 1 UNK -0.4907 22 C18 0.4415 -3.0853 -1.2893 C.3 1 UNK 0.0790 23 O2 -9.8661 -6.4960 0.2968 O.3 1 UNK -0.4526 24 C19 -10.6873 -5.3114 0.3579 C.3 1 UNK 0.2332 25 O3 -9.8612 -4.2813 -0.2236 O.3 1 UNK -0.4526 26 H 0.9865 1.7952 0.0023 H 1 UNK 0.0660 27 H1 -0.5181 1.7698 0.8903 H 1 UNK 0.0660 28 H2 -0.5348 1.7793 -0.8569 H 1 UNK 0.0660 29 H3 -2.3205 1.1448 0.0157 H 1 UNK 0.0655 30 H4 -4.4577 0.0791 0.0398 H 1 UNK 0.0625 31 H5 -5.7977 -2.0393 0.1069 H 1 UNK 0.0690 32 H6 -7.3966 -2.9629 -0.3404 H 1 UNK 0.0663 33 H7 -7.4110 -7.7388 0.8044 H 1 UNK 0.0658 34 H8 -5.0086 -7.7431 0.6295 H 1 UNK 0.0375 35 H9 -4.6705 -6.5274 1.8406 H 1 UNK 0.0375 36 H10 -3.9926 -6.4096 -1.0842 H 1 UNK 0.1034 37 H11 -2.8749 -6.4975 0.2729 H 1 UNK 0.1034 38 H12 -1.7464 -4.6421 -0.0367 H 1 UNK 0.1384 39 H13 1.3410 -3.6500 -1.1593 H 1 UNK 0.0660 40 H14 0.6574 -2.1916 -1.8367 H 1 UNK 0.0660 41 H15 -0.2724 -3.6710 -1.8299 H 1 UNK 0.0660 42 H16 -10.9353 -5.0728 1.3710 H 1 UNK 0.1166 43 H17 -11.6186 -5.4300 -0.1554 H 1 UNK 0.1166 @BOND 1 1 2 1 2 2 3 1 3 3 20 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 19 ar 8 6 7 ar 9 7 8 ar 10 8 17 ar 11 8 9 1 12 9 14 ar 13 9 10 ar 14 10 11 ar 15 11 25 1 16 11 12 ar 17 12 13 ar 18 12 23 1 19 13 14 ar 20 14 15 1 21 15 16 1 22 16 17 1 23 17 18 ar 24 18 19 ar 25 19 20 ar 26 20 21 1 27 21 22 1 28 23 24 1 29 24 25 1 30 1 26 1 31 1 27 1 32 1 28 1 33 4 29 1 34 5 30 1 35 7 31 1 36 10 32 1 37 13 33 1 38 15 34 1 39 15 35 1 40 16 36 1 41 16 37 1 42 18 38 1 43 22 39 1 44 22 40 1 45 22 41 1 46 24 42 1 47 24 43 1