REMARK  Name = BDB012914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.576  -0.501  -0.359  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.588  -0.421   0.811  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.273  -0.521   0.194  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.866  -0.408   0.977  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.778  -0.177   2.181  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.368  -0.370  -1.253  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.784   0.136  -1.498  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.143  -0.559   0.329  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -2.445  -1.459  -0.653  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -1.835  -2.160  -1.058  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.707  -1.385  -1.101  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.276  -0.463  -0.314  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.341   0.069   0.606  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.730  -0.121  -0.476  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -6.529  -0.450   0.787  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.923   1.345  -0.866  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        4.791  -0.404   0.707  0.00  0.00    +0.242 C 
ATOM     18  N   LIG    1        3.836   0.164  -0.114  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        3.903   1.175  -0.216  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        4.705  -1.538   1.164  0.00  0.00    -0.273 OA
BRANCH  17  22
ATOM     21  C   LIG    1        6.925   0.538  -0.216  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        5.986   0.521   0.977  0.00  0.00    +0.197 C 
BRANCH  22  23
ATOM     23  O   LIG    1        5.528   1.855   1.211  0.00  0.00    -0.383 OA
ATOM     24  H   LIG    1        5.112   1.851   2.093  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 5