REMARK  Name = BDB012785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.776  -1.233   1.000  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.411  -1.494   0.345  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.518  -2.104   1.052  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1       -2.744  -1.860   0.165  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -2.146  -1.776  -1.244  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -0.746  -1.212  -1.044  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.077  -1.823   2.035  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -3.578  -0.684   0.531  0.00  0.00    -0.311 N 
ATOM      9  C   LIG    1       -3.030   0.592   0.736  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -1.844   0.902   0.643  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -3.992   1.671   1.097  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -5.302   1.419   1.187  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -5.800   0.096   0.935  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -4.952  -0.891   0.624  0.00  0.00    +0.089 A 
ENDBRANCH   4   8
BRANCH   1  19
ATOM     15  C   LIG    1        3.227   1.121  -0.311  0.00  0.00    +0.066 A 
ATOM     16  N   LIG    1        2.099   1.835  -0.433  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        1.150   1.030   0.078  0.00  0.00    -0.272 N 
ATOM     18  H   LIG    1        0.194   1.373   0.165  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1        1.608  -0.210   0.431  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.972  -0.158   0.242  0.00  0.00    +0.057 A 
BRANCH  15  22
ATOM     21  C   LIG    1        5.180   0.901  -1.868  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1        4.542   1.710  -0.737  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.508   1.839   0.442  0.00  0.00    +0.014 C 
ENDBRANCH  15  22
ENDBRANCH   1  19
TORSDOF 3