REMARK  Name = BDB004676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.082   0.758   0.207  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.995  -0.132   0.067  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.884   0.056   0.914  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.799  -0.833   0.745  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.839  -1.842  -0.138  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.935  -1.943  -0.886  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.897   1.091   1.883  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.978   1.952   2.008  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -3.001  -1.137  -0.837  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -4.066   1.788   1.168  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.394  -0.278  -1.598  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -6.234  -0.352  -2.152  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.641  -0.948  -1.724  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.319   0.682  -0.632  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.255   1.458  -0.470  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.343  -0.690   1.558  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.658   0.276   1.515  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.458  -1.603   1.322  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.459  -0.989   0.367  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        3.438  -0.101   0.846  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        4.313   0.454  -0.065  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        5.315   1.325   0.228  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        5.873   1.547  -1.084  0.00  0.00    +0.466 C 
ATOM     24  O   LIG    1        5.196   0.816  -2.127  0.00  0.00    -0.453 OA
ATOM     25  C   LIG    1        4.245   0.164  -1.407  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1        3.296  -0.695  -1.915  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        2.394  -1.273  -1.016  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4