REMARK  Name = BDB054127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.358  -0.889  -0.301  0.00  0.00    +0.162 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -3.042  -1.635  -1.470  0.00  0.00    +0.018 C 
ATOM      3  C   LIG    1       -2.296  -2.944  -1.799  0.00  0.00    +0.006 C 
ATOM      4  C   LIG    1       -2.978  -3.728  -2.917  0.00  0.00    +0.000 C 
ATOM      5  C   LIG    1       -4.439  -4.016  -2.591  0.00  0.00    +0.000 C 
ATOM      6  C   LIG    1       -5.197  -2.735  -2.263  0.00  0.00    +0.000 C 
ATOM      7  C   LIG    1       -4.518  -1.945  -1.146  0.00  0.00    +0.006 C 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  C   LIG    1       -2.920   0.944   1.264  0.00  0.00    +0.230 C 
ATOM      9  N   LIG    1       -3.068   0.351   0.028  0.00  0.00    -0.302 N 
ATOM     10  H   LIG    1       -3.329   0.933  -0.757  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1       -2.267   0.402   2.159  0.00  0.00    -0.274 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -3.675   2.286   1.467  0.00  0.00    +0.137 C 
ATOM     13  C   LIG    1       -3.538   3.255   0.294  0.00  0.00    +0.034 C 
BRANCH  12  15
ATOM     14  C   LIG    1       -1.964   3.512   2.764  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.289   2.901   2.762  0.00  0.00    -0.309 NA
ATOM     16  H   LIG    1       -3.287   2.150   3.459  0.00  0.00    +0.122 HD
ENDBRANCH  12  15
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  C   LIG    1       -0.918  -0.452  -0.655  0.00  0.00    +0.234 C 
ATOM     18  N   LIG    1       -0.086  -0.358   0.447  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -0.578  -0.253   1.337  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -0.576  -0.117  -1.786  0.00  0.00    -0.274 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.231   0.242   0.334  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        2.190  -0.531  -0.589  0.00  0.00    +0.107 C 
ATOM     23  N   LIG    1        3.533  -0.415   0.012  0.00  0.00    -0.296 NA
ATOM     24  C   LIG    1        3.263  -0.461   1.456  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        1.959   0.295   1.678  0.00  0.00    +0.039 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.193   0.835  -0.406  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.629   0.936   0.068  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        6.556  -0.070  -0.246  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        7.882   0.029   0.177  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.298   1.136   0.914  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.389   2.145   1.229  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.062   2.048   0.807  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  21
ENDBRANCH   1  17
TORSDOF 8