REMARK  Name = BDB005630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.848   0.567  -0.847  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.766  -0.399  -0.396  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.271  -1.695  -0.175  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        2.133  -2.712   0.248  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.786  -3.648   0.406  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.466  -2.534   0.478  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        4.006  -1.167   0.265  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        5.473  -0.965   0.544  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        6.008   0.370   0.011  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        5.013   1.498   0.264  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        3.729   1.124  -0.303  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        3.008   1.847  -0.263  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        4.175  -3.463   0.853  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.081  -2.010  -0.366  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -0.993  -1.029  -0.775  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        3.212  -0.155  -0.141  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -0.512   0.262  -1.014  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        1.404   2.076  -2.488  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        1.232   1.868  -1.082  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1       -2.460  -1.363  -0.957  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.332  -1.202   0.221  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -2.946  -2.086   1.319  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.530   0.188   0.649  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -4.518   0.356   1.815  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -4.883   1.837   1.795  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.672   2.301   0.357  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -4.199   1.072  -0.413  0.00  0.00    +0.019 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4