REMARK  Name = BDB035060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.473   0.565  -0.551  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.733   0.060  -0.154  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -2.638   0.869  -0.813  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -4.022   0.739  -0.715  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -4.509  -0.281   0.128  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.610  -1.122   0.810  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -1.962   1.793  -1.545  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -2.223  -0.972   0.659  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.597   1.614  -1.369  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        0.756   0.086  -0.084  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        0.633  -0.516   0.734  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        1.698  -0.811  -1.168  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1        1.251  -0.672  -2.535  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        1.758  -2.130  -0.561  0.00  0.00    -0.150 OA
BRANCH  12  17
ATOM     15  C   LIG    1        5.619  -0.319  -0.327  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        4.344  -0.861  -0.469  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        3.307  -0.078  -1.002  0.00  0.00    +0.151 A 
ATOM     18  C   LIG    1        3.538   1.244  -1.405  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        4.824   1.774  -1.256  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        5.858   0.997  -0.720  0.00  0.00    +0.020 A 
BRANCH  15  23
ATOM     21  C   LIG    1        8.651  -2.582   1.235  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1        7.569  -1.773   0.677  0.00  0.00    -0.100 C 
ATOM     23  C   LIG    1        6.679  -1.109   0.218  0.00  0.00    -0.067 C 
ENDBRANCH  15  23
BRANCH  18  24
ATOM     24  O   LIG    1        2.482   1.936  -1.919  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1        2.680   3.284  -2.321  0.00  0.00    +0.277 C 
ENDBRANCH  18  24
ENDBRANCH  12  17
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1       -1.357  -1.785   1.350  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1       -1.266  -3.064   0.713  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1       -6.000  -0.463   0.301  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.595   0.645   1.036  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1       -7.284   1.600   0.377  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -7.685   2.426   1.347  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -7.270   1.998   2.621  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -6.572   0.837   2.389  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8