REMARK  Name = BDB016461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.220  -1.764  -0.252  0.00  0.00    +0.158 C 
ATOM      2  N   LIG    1       -1.991  -1.185  -0.405  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -0.938  -1.766   0.075  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -1.001  -3.110   0.775  0.00  0.00    +0.263 C 
ATOM      5  C   LIG    1       -2.321  -3.814   0.514  0.00  0.00    +0.181 C 
ATOM      6  C   LIG    1       -2.587  -4.370   1.865  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.736  -3.825   2.728  0.00  0.00    +0.186 C 
ATOM      8  O   LIG    1       -0.826  -2.934   2.197  0.00  0.00    -0.487 OA
ATOM      9  N   LIG    1       -3.438  -2.962   0.153  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.599   0.385  -0.146  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -4.379  -0.916  -0.648  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -5.270  -1.482  -1.577  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -6.363  -0.756  -2.044  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.574   0.540  -1.586  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.704   1.103  -0.649  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -4.517   1.505   2.131  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -3.713   1.017   0.919  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -2.882   2.160   0.330  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   3  19
ATOM     19  N   LIG    1        0.310  -1.176  -0.015  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        0.997  -1.516   0.653  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.462   0.225  -0.344  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.931   0.568  -0.389  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.555   1.188   0.700  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.922   1.482   0.661  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        4.702   1.161  -0.461  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        4.069   0.531  -1.544  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.703   0.234  -1.509  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.141   1.473  -0.500  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        7.003   1.041   0.521  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.369   1.337   0.485  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.896   2.070  -0.575  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.058   2.508  -1.598  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.693   2.211  -1.560  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6