REMARK  Name = BDB012950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.290  -0.403  -0.799  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.778   0.221  -0.173  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        2.125   0.064  -0.709  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.027   0.807   0.283  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.280   0.626   1.602  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.820   0.748   1.185  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.110  -1.133  -1.772  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.730  -0.296   0.398  0.00  0.00    +0.064 A 
ATOM      9  N   LIG    1       -3.344   0.954   0.678  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.085   1.013   0.214  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -1.606   1.905   0.243  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.607  -0.176  -0.260  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.684  -1.037  -0.198  0.00  0.00    +0.057 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -5.114  -0.757   0.723  0.00  0.00    +0.060 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.582  -0.544   0.301  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -6.188  -0.214  -0.237  0.00  0.00    -0.011 C 
ATOM     17  C   LIG    1       -6.034  -0.782  -1.651  0.00  0.00    +0.007 C 
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  N   LIG    1        4.384   0.308   0.334  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        4.609  -0.472   0.939  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        5.280   0.624  -0.657  0.00  0.00    +0.216 C 
ATOM     21  O   LIG    1        5.058   1.397  -1.577  0.00  0.00    -0.276 OA
BRANCH  20  22
ATOM     22  C   LIG    1        6.574  -0.097  -0.566  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        7.367  -0.139   0.720  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        7.855   0.692  -0.430  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 5