REMARK  Name = BDB012819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.725  -0.136   0.640  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -1.039  -0.967  -0.441  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.384  -0.708  -0.251  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.319  -1.425  -0.975  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        0.953  -2.275  -1.788  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.582   0.477   0.570  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.807   1.089   0.723  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -6.635  -0.918   1.391  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.514  -0.239   0.665  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1       -4.184  -0.508   0.996  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.165   0.165   0.325  0.00  0.00    +0.046 A 
ATOM     12  N   LIG    1       -3.418   1.075  -0.645  0.00  0.00    -0.256 NA
ATOM     13  C   LIG    1       -4.709   1.342  -0.952  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -4.964   2.362  -2.021  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1       -5.776   0.714  -0.319  0.00  0.00    +0.026 A 
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  C   LIG    1        2.729  -1.177  -0.786  0.00  0.00    +0.121 A 
ATOM     17  N   LIG    1        3.636  -1.670  -1.688  0.00  0.00    -0.272 N 
ATOM     18  H   LIG    1        3.424  -2.218  -2.517  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1        4.916  -1.372  -1.414  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1        4.848  -0.692  -0.265  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1        3.505  -0.554   0.171  0.00  0.00    +0.057 A 
BRANCH  20  22
ATOM     22  C   LIG    1        6.103  -0.193   0.393  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        6.311  -0.836   1.766  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1        6.110   1.332   0.508  0.00  0.00    +0.014 C 
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 3