@MOLECULE FDBD02159 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.0110 1.0064 0.5228 C.3 1 UNK -0.0411 2 C1 0.6449 -0.4202 0.1083 C.3 1 UNK 0.0525 3 O -0.7620 -0.6155 0.2651 O.3 1 UNK -0.3235 4 P -1.4783 -2.0417 0.0529 P.3 1 UNK 0.2348 5 S -1.0845 -3.1551 1.4944 S.2 1 UNK 0.0033 6 O1 -3.0718 -1.8328 -0.0442 O.3 1 UNK -0.3235 7 C2 -4.0064 -2.9066 0.0792 C.3 1 UNK 0.0525 8 C3 -5.4296 -2.3627 -0.0613 C.3 1 UNK -0.0411 9 S1 -0.7714 -2.9280 -1.7384 S.3 1 UNK -0.0016 10 C4 -1.4361 -1.8350 -3.0245 C.3 1 UNK 0.2281 11 N -0.6515 -0.5986 -3.0680 N.am 1 UNK -0.0002 12 C5 -1.0543 0.5163 -2.4292 C.2 1 UNK 0.4793 13 O2 -2.0616 0.6692 -1.7607 O.2 1 UNK -0.2045 14 S2 0.2081 1.7130 -2.7777 S.3 1 UNK 0.0905 15 C6 1.1791 0.6027 -3.7616 C.2 1 UNK 0.3278 16 N1 0.5365 -0.5213 -3.7591 N.2 1 UNK 0.0463 17 O3 2.3537 0.8731 -4.3830 O.2 1 UNK -0.4709 18 C7 2.9547 -0.1899 -5.1251 C.3 1 UNK 0.0811 19 H 2.0644 1.1527 0.4054 H 1 UNK 0.0252 20 H1 0.7414 1.1606 1.5467 H 1 UNK 0.0252 21 H2 0.4832 1.7036 -0.0939 H 1 UNK 0.0252 22 H3 1.1727 -1.1174 0.7250 H 1 UNK 0.0561 23 H4 0.9145 -0.5745 -0.9156 H 1 UNK 0.0561 24 H5 -3.8942 -3.3687 1.0377 H 1 UNK 0.0561 25 H6 -3.8232 -3.6289 -0.6886 H 1 UNK 0.0561 26 H7 -5.6128 -1.6404 0.7066 H 1 UNK 0.0252 27 H8 -6.1295 -3.1668 0.0311 H 1 UNK 0.0252 28 H9 -5.5418 -1.9006 -1.0198 H 1 UNK 0.0252 29 H10 -2.4566 -1.6022 -2.8023 H 1 UNK 0.1181 30 H11 -1.3808 -2.3261 -3.9735 H 1 UNK 0.1181 31 H12 3.8692 0.1529 -5.5622 H 1 UNK 0.0661 32 H13 2.2867 -0.5072 -5.8984 H 1 UNK 0.0661 33 H14 3.1582 -1.0114 -4.4704 H 1 UNK 0.0661 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 4 9 1 7 6 7 1 8 7 8 1 9 9 10 1 10 10 11 1 11 11 16 1 12 11 12 am 13 12 13 2 14 12 14 1 15 14 15 1 16 15 16 2 17 15 17 1 18 17 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 2 22 1 23 2 23 1 24 7 24 1 25 7 25 1 26 8 26 1 27 8 27 1 28 8 28 1 29 10 29 1 30 10 30 1 31 18 31 1 32 18 32 1 33 18 33 1