REMARK  Name = BDB000967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.206  -0.452   0.553  0.00  0.00    +0.114 A 
ATOM      2  N   LIG    1       -2.039  -1.401   1.106  0.00  0.00    -0.330 N 
ATOM      3  C   LIG    1       -1.613  -2.602   1.784  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -3.343  -1.006   0.905  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -3.235   0.214   0.234  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1       -4.413   0.896  -0.119  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.662   0.336   0.197  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.739  -0.884   0.867  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.581  -1.577   1.238  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.914   0.515   0.007  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.933   0.113  -0.554  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1        2.353  -1.231  -0.698  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1        0.825  -1.194  -0.702  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1        0.296  -0.529   0.571  0.00  0.00    +0.058 C 
ATOM     15  C   LIG    1        0.930   0.857   0.716  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1        2.457   0.769   0.674  0.00  0.00    +0.085 C 
BRANCH  11  17
ATOM     17  C   LIG    1        4.403   0.037  -0.613  0.00  0.00    +0.084 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.573   1.266  -0.992  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        5.071   1.407  -0.787  0.00  0.00    +0.012 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -4.347   2.197  -0.804  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -3.741   3.156  -0.351  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -5.043   2.279  -1.981  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.307   1.442  -2.481  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -4.870   3.115  -2.526  0.00  0.00    +0.145 HD
ENDBRANCH   6  20
TORSDOF 4