REMARK  Name = BDB005568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.308   1.771   1.131  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.893   0.506   0.980  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -3.131   0.343   0.342  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -3.764   1.485  -0.163  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -4.956   1.356  -0.878  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -5.422   2.168  -1.262  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.546   0.156  -1.157  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -4.898  -1.060  -0.594  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -5.577  -2.376  -0.864  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.682  -3.575  -0.535  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -3.964  -3.361   0.792  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -3.211  -2.106   0.747  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -2.803  -1.886   1.653  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -6.569   0.093  -1.832  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.208   2.754   0.009  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -3.775  -0.977   0.147  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -1.980   2.896   0.661  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -0.076   1.745   1.721  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.656   2.962   1.860  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.412   3.376   0.576  0.00  0.00    +0.125 C 
BRANCH  20  24
ATOM     21  N   LIG    1        3.421  -0.300  -0.839  0.00  0.00    +0.381 N 
ATOM     22  C   LIG    1        4.147   0.714   0.081  0.00  0.00    -0.059 C 
ATOM     23  C   LIG    1        3.172   1.663   0.817  0.00  0.00    +0.066 C 
ATOM     24  N   LIG    1        2.292   2.398  -0.099  0.00  0.00    -0.303 NA
ATOM     25  C   LIG    1        1.559   1.500  -1.003  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        2.495   0.553  -1.784  0.00  0.00    -0.059 C 
BRANCH  21  28
ATOM     27  C   LIG    1        3.258  -2.262   0.827  0.00  0.00    -0.016 C 
ATOM     28  C   LIG    1        2.515  -1.286  -0.066  0.00  0.00    -0.078 C 
ENDBRANCH  21  28
BRANCH  21  29
ATOM     29  C   LIG    1        4.408  -1.050  -1.770  0.00  0.00    -0.078 C 
ATOM     30  C   LIG    1        5.754  -1.379  -1.142  0.00  0.00    -0.016 C 
ENDBRANCH  21  29
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6