REMARK  Name = BDB012095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.694  -0.314  -0.610  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.247   0.702  -0.467  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -0.055   2.116  -0.927  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -1.456   0.243   0.205  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.340  -1.088   0.559  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1        0.155  -1.769   0.125  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.655   1.059   0.450  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -3.433   0.655   1.508  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -3.175  -0.155   2.057  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.933   2.035  -0.240  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.708   1.257   1.828  0.00  0.00    +0.149 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.813   0.364   1.362  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -5.880  -1.003   1.958  0.00  0.00    +0.257 A 
ATOM     14  O   LIG    1       -5.028  -1.409   2.744  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -6.937  -1.792   1.574  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -6.966  -2.714   1.995  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -7.918  -1.407   0.692  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1       -9.009  -2.392   0.406  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -7.855  -0.185   0.144  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1       -6.764   0.707   0.474  0.00  0.00    +0.132 A 
BRANCH  20  21
ATOM     21  O   LIG    1       -6.835   1.963  -0.090  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -6.295   1.964  -1.414  0.00  0.00    +0.277 C 
ENDBRANCH  20  21
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  23
ATOM     23  N   LIG    1        1.915  -0.266  -1.237  0.00  0.00    -0.322 N 
BRANCH  23  24
ATOM     24  C   LIG    1        3.112  -0.251  -0.367  0.00  0.00    +0.074 C 
ATOM     25  C   LIG    1        4.042   0.941  -0.633  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        5.242   0.934   0.318  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        6.021  -0.394   0.228  0.00  0.00    +0.056 C 
ATOM     28  C   LIG    1        5.082  -1.588   0.495  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        3.877  -1.580  -0.449  0.00  0.00    +0.024 C 
BRANCH  27  30
ATOM     30  N   LIG    1        7.226  -0.481   1.076  0.00  0.00    -0.305 NA
ATOM     31  C   LIG    1        7.009  -0.177   2.490  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1        8.327   0.328   0.552  0.00  0.00    +0.104 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
BRANCH  23  34
ATOM     33  C   LIG    1        2.729  -0.722  -3.535  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1        1.955   0.215  -2.624  0.00  0.00    +0.102 C 
ENDBRANCH  23  34
ENDBRANCH   1  23
TORSDOF 8