REMARK  Name = BDB008665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.614   2.317   0.152  0.00  0.00    +0.042 A 
ATOM      2  N   LIG    1        1.881   1.853   0.234  0.00  0.00    -0.257 NA
ATOM      3  C   LIG    1        2.080   0.652   0.824  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.035  -0.126   1.321  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.281   0.338   1.216  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.477   1.594   0.626  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.106   3.496  -1.995  0.00  0.00    +0.010 C 
ATOM      8  C   LIG    1        0.414   3.652  -0.514  0.00  0.00    +0.052 C 
ENDBRANCH   1   8
BRANCH   5   9
ATOM      9  C   LIG    1       -1.489  -0.441   1.726  0.00  0.00    +0.104 C 
ATOM     10  C   LIG    1       -1.178  -1.708   2.538  0.00  0.00    +0.033 C 
BRANCH   9  11
ATOM     11  N   LIG    1       -2.474  -0.724   0.647  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -3.656   0.035   0.635  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -3.809   1.003   1.388  0.00  0.00    -0.273 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -4.797  -0.393  -0.320  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -5.683   0.708  -0.616  0.00  0.00    -0.365 OA
ATOM     16  C   LIG    1       -6.828   0.722   0.240  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1       -7.683  -0.536   0.010  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -6.909  -1.770  -0.244  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -6.833  -1.869  -1.259  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -5.544  -1.606   0.288  0.00  0.00    +0.122 C 
ENDBRANCH  12  14
BRANCH  11  21
ATOM     21  C   LIG    1       -2.239  -1.860  -0.220  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -2.154  -1.719  -1.721  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -0.936  -2.098  -0.947  0.00  0.00    +0.024 C 
ENDBRANCH  11  21
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   3  24
ATOM     24  C   LIG    1        3.502   0.159   0.889  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.934  -0.441  -0.451  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.357  -0.982  -0.406  0.00  0.00    +0.108 C 
BRANCH  26  27
ATOM     27  N   LIG    1        6.336   0.062  -0.222  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        6.232   0.947  -0.701  0.00  0.00    +0.152 HD
ATOM     29  C   LIG    1        7.599  -0.203   0.214  0.00  0.00    +0.400 C 
ATOM     30  O   LIG    1        7.992  -1.279   0.639  0.00  0.00    -0.226 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.353   0.915   0.086  0.00  0.00    -0.454 OA
ATOM     32  C   LIG    1        9.704   0.753   0.517  0.00  0.00    +0.282 C 
ENDBRANCH  29  31
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 10