REMARK  Name = BDB005163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.925   3.317  -0.028  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -0.360   2.869  -0.399  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.595   1.482  -0.381  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -1.882   1.052  -0.766  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -2.849   1.914  -1.109  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.534   3.207  -1.087  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        0.431   0.589   0.019  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        1.697   1.044   0.382  0.00  0.00    -0.017 A 
ATOM      9  N   LIG    1       -1.343   3.723  -0.761  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        1.937   2.413   0.355  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.745   0.093   0.797  0.00  0.00    -0.022 C 
ATOM     12  C   LIG    1        2.611  -0.744   1.977  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        3.616  -1.508   2.429  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1        4.959  -1.570   1.746  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1        4.959  -0.987   0.317  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        3.837  -0.028   0.018  0.00  0.00    -0.017 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.503  -3.004   1.713  0.00  0.00    +0.218 C 
ATOM     18  O   LIG    1        4.845  -4.016   1.931  0.00  0.00    -0.275 OA
ATOM     19  N   LIG    1        6.833  -3.110   1.406  0.00  0.00    -0.329 N 
ATOM     20  H   LIG    1        7.464  -2.325   1.488  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        7.230  -4.040   1.470  0.00  0.00    +0.145 HD
ENDBRANCH  14  17
ENDBRANCH   8  11
BRANCH   1  25
ATOM     22  N   LIG    1        0.362   5.698  -0.272  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        0.626   6.672  -0.300  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -0.582   5.423  -0.527  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        1.317   4.761  -0.013  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        2.468   5.112   0.227  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   4  27
ATOM     27  N   LIG    1       -2.172  -0.331  -0.785  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1       -1.494  -0.780  -1.397  0.00  0.00    +0.148 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.549  -0.717  -1.133  0.00  0.00    +0.086 C 
ATOM     30  C   LIG    1       -4.518  -0.501   0.059  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -5.879  -1.007  -0.193  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -6.278  -0.487  -0.975  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -5.853  -2.432  -0.520  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -4.968  -2.722  -1.730  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -3.547  -2.208  -1.514  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5