REMARK  Name = BDB063906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.265   0.684  -0.795  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.035   1.978  -0.483  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.803   2.504  -0.635  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.181   2.531  -0.013  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.380   3.674   0.344  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.128   1.384  -0.059  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.403   1.505   0.330  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.478   0.278  -0.563  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.433   0.452   0.315  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.134  -0.891   0.590  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.178  -1.835   0.591  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.502  -1.472   0.341  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.421  -2.509   0.378  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.799  -3.633   0.649  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.793  -0.120   0.084  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.106  -3.533   0.880  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.760   0.827   0.079  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.688  -0.131  -1.315  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.336  -1.083  -1.401  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -3.900  -0.463   0.742  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -2.447  -0.090   0.410  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -2.134  -0.079  -1.095  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -2.765   1.068  -1.917  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.598   2.080  -1.128  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.906   1.542  -0.546  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -4.952   0.050  -0.245  0.00  0.00    +0.031 C 
BRANCH  20  28
ATOM     27  C   LIG    1       -3.763  -2.487   2.002  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -4.028  -1.894   0.736  0.00  0.00    -0.380 OA
ENDBRANCH  20  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4