REMARK  Name = BDB058191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.348  -0.317   0.203  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1        0.300  -1.152   0.397  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.906  -0.630   0.685  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.026   0.730   0.826  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.203   1.583   1.106  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -1.569   2.982   1.251  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -0.133   2.894   0.875  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1        0.269   3.700  -0.288  0.00  0.00    +0.135 C 
ATOM      9  C   LIG    1       -0.782   3.615  -1.411  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -2.142   3.849  -1.000  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -2.294   4.050   0.410  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1        0.099   1.508   0.658  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        1.289   1.016   0.329  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   3  14
ATOM     14  N   LIG    1       -2.013  -1.489   0.854  0.00  0.00    -0.308 N 
ATOM     15  C   LIG    1       -3.003  -1.403  -0.260  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1       -4.384  -1.062   0.312  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -3.065  -2.738  -1.041  0.00  0.00    +0.182 C 
ATOM     18  O   LIG    1       -3.413  -3.866  -0.223  0.00  0.00    -0.376 OA
ATOM     19  C   LIG    1       -2.791  -3.840   1.073  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1       -1.596  -2.882   1.167  0.00  0.00    +0.135 C 
ENDBRANCH   3  14
BRANCH   1  22
ATOM     21  C   LIG    1        3.664  -0.331  -0.854  0.00  0.00    +0.135 A 
ATOM     22  C   LIG    1        2.638  -0.937  -0.118  0.00  0.00    +0.079 A 
ATOM     23  C   LIG    1        2.922  -2.232   0.314  0.00  0.00    +0.128 A 
ATOM     24  N   LIG    1        4.077  -2.913   0.084  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        5.020  -2.291  -0.635  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        4.852  -1.013  -1.134  0.00  0.00    +0.089 A 
BRANCH  25  27
ATOM     27  N   LIG    1        6.179  -3.014  -0.898  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.094  -3.899  -0.403  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.011  -2.505  -0.622  0.00  0.00    +0.144 HD
ENDBRANCH  25  27
BRANCH  21  31
ATOM     30  C   LIG    1        4.213   1.897  -0.674  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        3.495   0.911  -1.417  0.00  0.00    -0.494 OA
ENDBRANCH  21  31
ENDBRANCH   1  22
TORSDOF 4