REMARK  Name = BDB014950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.389   3.015   1.237  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.899   3.237   1.206  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.112   2.225   0.671  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.671   2.523   0.571  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.888   1.279   0.350  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.488   1.049   0.337  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.233  -0.241   0.091  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.432  -0.832  -0.044  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.459   0.052   0.082  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.917  -0.200   0.004  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.645   1.148  -0.192  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.420   4.280   1.653  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.503  -2.254  -0.269  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -0.693  -2.750  -1.455  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -0.448  -4.150  -1.222  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -0.720  -4.430   0.160  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -0.944  -3.104   0.855  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.413   2.036   0.566  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.055   2.943   0.841  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.826   2.039   0.490  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        2.576   0.983  -0.051  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        3.983   1.001  -0.083  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        4.650   2.111   0.440  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.917   3.160   0.981  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1        4.563   4.219   1.487  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        2.526   3.133   1.013  0.00  0.00    +0.061 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.737  -0.106  -0.652  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.280  -1.403  -0.777  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        5.291  -2.117  -1.351  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        5.280  -3.520  -1.686  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.389  -1.383  -1.604  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.050  -0.163  -1.180  0.00  0.00    +0.142 A 
ENDBRANCH  22  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4