@MOLECULE FDBD02158 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0173 1.4248 0.0099 C.3 1 UNK 0.0464 2 O 0.0021 -0.0041 0.0020 O.3 1 UNK -0.3050 3 P 0.6778 -0.8654 -1.1785 P.3 1 UNK 0.3621 4 S 0.1754 -0.1594 -2.8283 S.2 1 UNK 0.0363 5 O1 2.2804 -0.8072 -1.0355 O.3 1 UNK -0.3050 6 C1 3.1700 -1.1984 -2.0832 C.3 1 UNK 0.0464 7 O2 0.1851 -2.3947 -1.0766 O.3 1 UNK -0.4064 8 C2 0.4301 -3.1283 -2.1902 C.ar 1 UNK 0.2410 9 C3 -0.5288 -3.1802 -3.2148 C.ar 1 UNK 0.0901 10 N -0.3101 -3.8838 -4.2997 N.ar 1 UNK -0.2482 11 C4 0.8374 -4.5602 -4.4345 C.ar 1 UNK 0.0894 12 C5 1.0977 -5.3216 -5.5867 C.ar 1 UNK -0.0342 13 C6 2.2731 -5.9989 -5.6969 C.ar 1 UNK -0.0596 14 C7 3.2266 -5.9496 -4.6818 C.ar 1 UNK -0.0596 15 C8 3.0088 -5.2226 -3.5519 C.ar 1 UNK -0.0341 16 C9 1.8068 -4.5101 -3.4026 C.ar 1 UNK 0.0930 17 N1 1.5682 -3.7824 -2.3044 N.ar 1 UNK -0.2098 18 H -0.5181 1.7698 0.8903 H 1 UNK 0.0529 19 H1 -0.5348 1.7793 -0.8569 H 1 UNK 0.0529 20 H2 0.9865 1.7952 0.0023 H 1 UNK 0.0529 21 H3 4.1815 -1.0732 -1.7575 H 1 UNK 0.0529 22 H4 2.9950 -0.5896 -2.9456 H 1 UNK 0.0529 23 H5 2.9996 -2.2253 -2.3310 H 1 UNK 0.0529 24 H6 -1.4141 -2.6597 -3.1131 H 1 UNK 0.0884 25 H7 0.4004 -5.3670 -6.3462 H 1 UNK 0.0639 26 H8 2.4609 -6.5570 -6.5444 H 1 UNK 0.0618 27 H9 4.1104 -6.4717 -4.7883 H 1 UNK 0.0618 28 H10 3.7235 -5.1948 -2.8079 H 1 UNK 0.0639 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 3 7 1 6 5 6 1 7 7 8 1 8 8 17 ar 9 8 9 ar 10 9 10 ar 11 10 11 ar 12 11 16 ar 13 11 12 ar 14 12 13 ar 15 13 14 ar 16 14 15 ar 17 15 16 ar 18 16 17 ar 19 1 18 1 20 1 19 1 21 1 20 1 22 6 21 1 23 6 22 1 24 6 23 1 25 9 24 1 26 12 25 1 27 13 26 1 28 14 27 1 29 15 28 1