REMARK  Name = BDB020942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.037   1.891   1.665  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -1.205   1.011   1.755  0.00  0.00    +0.090 C 
ATOM      3  N   LIG    1       -1.071  -0.381   2.241  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.014  -1.274   2.128  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -0.085  -2.411   2.603  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -2.373  -0.996   2.567  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1       -3.584  -0.284   1.915  0.00  0.00    +0.125 C 
ATOM      8  N   LIG    1       -3.247   0.187   0.554  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -2.033   1.033   0.445  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.340   0.601  -0.213  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -5.564   0.662   0.357  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -6.619   1.049  -0.401  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -6.526   1.387  -1.739  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -5.273   1.316  -2.333  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.176   0.918  -1.565  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -7.683   1.786  -2.474  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       -8.622   2.115  -3.070  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.235  -0.846   1.391  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.219  -2.001   1.209  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.259  -1.614   0.191  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        3.019  -2.019  -1.095  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.214  -2.585  -1.323  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        3.852  -1.723  -2.144  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        3.614  -2.093  -3.287  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.043  -0.927  -1.804  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        5.204  -0.550  -0.467  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        6.325   0.205  -0.118  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        7.264   0.574  -1.087  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.088   0.191  -2.418  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.974  -0.564  -2.782  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        4.281  -0.900   0.534  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5