REMARK  Name = BDB012985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.371  -1.962   0.456  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.145  -1.957  -0.198  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.433  -0.825  -0.926  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1       -1.952  -1.064  -0.944  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1       -2.083  -2.560  -0.644  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.904  -2.844   0.272  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.600  -2.753   1.369  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -2.699  -0.244  -0.003  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -3.957   0.284  -0.199  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -4.252   0.971   0.976  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.483   1.639   1.099  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -6.388   1.593   0.033  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.077   0.895  -1.134  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.121   0.780   1.796  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -4.857   0.225  -1.274  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -2.181   0.037   1.210  0.00  0.00    -0.178 NA
ENDBRANCH   4   8
BRANCH   1  21
ATOM     17  C   LIG    1        4.037   0.441  -0.185  0.00  0.00    +0.066 A 
ATOM     18  N   LIG    1        3.617   0.210  -1.436  0.00  0.00    -0.178 NA
ATOM     19  N   LIG    1        2.648  -0.706  -1.286  0.00  0.00    -0.272 N 
ATOM     20  H   LIG    1        2.223  -1.092  -2.120  0.00  0.00    +0.189 HD
ATOM     21  C   LIG    1        2.366  -1.019   0.012  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.299  -0.319   0.752  0.00  0.00    +0.057 A 
BRANCH  17  24
ATOM     23  C   LIG    1        4.811   2.825  -0.333  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1        5.159   1.399   0.098  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1        6.470   0.946  -0.548  0.00  0.00    +0.014 C 
ENDBRANCH  17  24
ENDBRANCH   1  21
TORSDOF 3