REMARK  Name = BDB064851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.638   0.766   0.585  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.488   0.083  -0.301  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        1.937  -0.696  -1.326  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.564  -0.825  -1.495  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.282  -0.150  -0.612  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.647  -0.335  -0.853  0.00  0.00    +0.226 A 
ATOM      7  N   LIG    1       -2.141  -1.093  -1.846  0.00  0.00    -0.201 NA
ATOM      8  C   LIG    1       -1.229  -1.685  -2.620  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        0.102  -1.587  -2.494  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        0.258   0.645   0.427  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        1.420   2.255   2.441  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        2.249   1.507   1.563  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1        3.834   0.252  -0.092  0.00  0.00    -0.484 OA
BRANCH  13  14
ATOM     14  C   LIG    1        4.735  -0.552  -0.852  0.00  0.00    +0.264 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.156  -0.327  -0.385  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1        6.450  -0.097   0.968  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        7.771   0.068   1.391  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.813  -0.006   0.469  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        8.537  -0.248  -0.875  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.217  -0.413  -1.299  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   2  13
BRANCH   6  21
ATOM     21  O   LIG    1       -2.527   0.313  -0.003  0.00  0.00    -0.473 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.920   0.100  -0.263  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -4.676   1.283   0.347  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1       -6.189   1.190   0.130  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -6.681  -0.247  -0.101  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -5.878  -1.241   0.738  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1       -4.389  -1.218   0.377  0.00  0.00    +0.046 C 
BRANCH  25  28
ATOM     28  N   LIG    1       -8.106  -0.356   0.195  0.00  0.00    -0.327 NA
ATOM     29  H   LIG    1       -8.277  -0.146   1.178  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1       -8.624   0.342  -0.337  0.00  0.00    +0.118 HD
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 7