REMARK  Name = BDB065040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.738   0.437   0.558  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.360   0.168   0.419  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -0.676  -0.686   1.296  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.382  -1.298   2.328  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.749  -1.064   2.477  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.421  -0.209   1.601  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.449   1.374  -0.431  0.00  0.00    +0.141 C 
ATOM      8  O   LIG    1       -2.468   2.309  -0.974  0.00  0.00    -0.439 OA
ATOM      9  C   LIG    1       -2.163   3.492  -0.387  0.00  0.00    +0.401 C 
ATOM     10  O   LIG    1       -1.195   4.156  -0.737  0.00  0.00    -0.226 OA
ATOM     11  N   LIG    1       -3.004   3.941   0.585  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1       -2.684   4.787   1.040  0.00  0.00    +0.152 HD
ATOM     13  C   LIG    1       -4.067   3.174   1.161  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -4.614   2.188   0.153  0.00  0.00    +0.072 C 
BRANCH   7  16
ATOM     15  C   LIG    1       -5.029  -0.451  -1.434  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -3.916   0.562  -1.670  0.00  0.00    +0.050 C 
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  N   LIG    1        0.698  -0.870   1.071  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        1.117  -0.367   0.290  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        1.589  -1.650   1.783  0.00  0.00    +0.267 C 
ATOM     20  O   LIG    1        1.351  -2.345   2.764  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        2.983  -1.589   1.234  0.00  0.00    +0.129 A 
ATOM     22  N   LIG    1        3.155  -0.793   0.150  0.00  0.00    -0.227 NA
ATOM     23  C   LIG    1        4.399  -0.732  -0.355  0.00  0.00    +0.133 A 
ATOM     24  N   LIG    1        5.440  -1.411   0.171  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1        5.225  -2.193   1.250  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        6.400  -2.941   1.804  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1        3.986  -2.317   1.829  0.00  0.00    +0.056 A 
BRANCH  23  28
ATOM     28  C   LIG    1        4.644   0.141  -1.560  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1        5.200  -0.460  -2.831  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        3.775   0.003  -2.791  0.00  0.00    +0.012 C 
ENDBRANCH  23  28
ENDBRANCH  19  21
ENDBRANCH   3  17
TORSDOF 5