REMARK  Name = BDB021372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765   1.873   0.222  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.243   1.604   1.522  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.129   1.475   1.627  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.417   1.291   2.960  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.195   1.266   3.591  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.989   1.563   0.517  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.503   1.821  -0.666  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.828   1.450   2.696  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.136   1.960  -0.781  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.496   1.183   0.083  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1        3.126   1.070   0.367  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.205   2.024  -0.092  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        2.682   3.115  -0.834  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        4.042   3.234  -1.127  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.943   2.271  -0.676  0.00  0.00    +0.004 A 
BRANCH  10  16
ATOM     16  C   LIG    1        5.469   0.141   0.583  0.00  0.00    +0.050 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.566  -1.105  -0.319  0.00  0.00    +0.088 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.215  -2.680   0.960  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        4.377  -1.982  -0.317  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1        4.473  -2.958  -1.405  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1        0.052   1.085   4.989  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.213   0.927   6.129  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.349   1.391   0.655  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.793   1.655  -0.223  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.886   0.119   1.133  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.000  -0.359   0.248  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.779  -0.835  -1.042  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.526  -0.924  -1.833  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -4.016  -1.812  -2.976  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -5.453  -1.685  -3.085  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.835  -1.258  -1.840  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.146  -1.226  -1.407  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.391  -0.761  -0.116  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.328  -0.338   0.694  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -6.606   0.102   1.930  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 8