REMARK  Name = BDB062934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.358  -1.968  -0.940  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.797  -1.858   0.464  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.672  -0.968   1.058  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -1.781  -0.984   2.290  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.308  -2.991   1.245  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.579  -3.788   0.302  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.017  -3.447  -1.073  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.528   0.021   0.204  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -3.504   0.814   1.125  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -4.690  -0.109   1.405  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.628  -1.207   0.354  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.564  -0.756  -0.641  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -1.641   1.030  -0.530  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.611   1.143  -1.930  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -0.783   2.081  -2.553  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.764   2.191  -4.270  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        0.024   2.927  -1.800  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        0.003   2.839  -0.411  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -0.821   1.901   0.216  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     20  O   LIG    1        1.260  -1.020  -2.458  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        0.877  -1.100  -1.293  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        1.491  -0.540  -0.188  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        1.012  -0.699   0.692  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.620   0.300  -0.148  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.995   0.788   1.116  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        4.102   1.649   1.223  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        4.803   1.996   0.076  0.00  0.00    +0.066 A 
ATOM     28  N   LIG    1        5.804   2.829   0.502  0.00  0.00    -0.277 N 
ATOM     29  H   LIG    1        6.517   3.277  -0.062  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1        5.805   3.052   1.829  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1        4.459   1.527  -1.192  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1        4.769   2.330   2.264  0.00  0.00    +0.142 A 
ATOM     33  C   LIG    1        3.352   0.671  -1.279  0.00  0.00    +0.025 A 
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 4