REMARK  Name = BDB060446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.795  -0.862  -0.716  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.596  -0.150  -0.024  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.283  -1.539  -1.256  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.245  -2.517  -1.993  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -5.685   3.338   2.506  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -5.972   2.290   1.558  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -6.486   2.573   0.737  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -5.025   1.309   1.316  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -5.418   0.366   0.349  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -4.476  -0.477  -0.354  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.937  -1.481  -1.230  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -4.022  -2.266  -1.952  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.648  -2.088  -1.802  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.167  -1.116  -0.935  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.403  -1.729  -1.461  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -7.218  -1.240  -0.283  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -3.084  -0.315  -0.232  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.840   0.197   0.019  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -3.960   1.313   1.929  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        1.619  -1.016  -0.850  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.672  -1.924  -0.695  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.942  -1.475  -0.318  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.183  -0.111  -0.100  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        3.126   0.795  -0.273  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.853   0.349  -0.651  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.496   0.368   0.297  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        6.694  -0.237  -0.021  0.00  0.00    +0.144 A 
ATOM     28  N   LIG    1        7.680   0.537   0.536  0.00  0.00    -0.141 N 
ATOM     29  N   LIG    1        7.201   1.624   1.196  0.00  0.00    -0.158 NA
ATOM     30  C   LIG    1        5.877   1.510   1.045  0.00  0.00    +0.144 A 
BRANCH  28  31
ATOM     31  S   LIG    1        9.344   0.135   0.371  0.00  0.00    +0.067 S 
ATOM     32  O   LIG    1        9.480  -1.145   1.044  0.00  0.00    -0.152 OA
ATOM     33  O   LIG    1        9.618   0.275  -1.048  0.00  0.00    -0.152 OA
ATOM     34  C   LIG    1       10.274   1.353   1.260  0.00  0.00    +0.223 C 
ENDBRANCH  28  31
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 4