REMARK  Name = BDB046401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.091  -1.009   0.585  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1        2.514  -0.844   0.614  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        2.780   0.426   0.103  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        4.075   0.944  -0.025  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        5.139   0.134   0.380  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        4.914  -1.142   0.889  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.570   0.984  -0.222  0.00  0.00    -0.352 N 
ATOM      8  H   LIG    1        1.437   1.902  -0.626  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        3.612  -1.642   1.008  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        0.522   0.135   0.065  0.00  0.00    +0.082 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -0.962   0.580  -0.227  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1       -2.231  -0.042   0.022  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.209   0.825  -0.483  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -4.584   0.555  -0.433  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.995  -0.637   0.160  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.063  -1.519   0.687  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -2.563   1.923  -0.995  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -3.041   2.704  -1.417  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -2.692  -1.232   0.626  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -1.210   1.801  -0.839  0.00  0.00    +0.201 A 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.369   2.750  -1.251  0.00  0.00    -0.493 OA
ATOM     22  H   LIG    1       -0.872   3.480  -1.651  0.00  0.00    +0.294 HD
ENDBRANCH  20  21
ENDBRANCH  10  11
BRANCH   1  24
ATOM     23  O   LIG    1        0.914  -2.882   1.884  0.00  0.00    -0.143 OA
ATOM     24  N   LIG    1        0.379  -2.223   0.986  0.00  0.00    -0.028 NA
ENDBRANCH   1  24
TORSDOF 3