REMARK  Name = BDB014902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.440   5.167   1.077  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.995   4.750   0.970  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.732   3.477   0.481  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.305   3.142   0.306  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.123   1.677   0.131  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.947   0.884   0.058  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.262  -0.402  -0.128  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.607  -0.445  -0.141  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -3.166   0.789  -0.020  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.600   1.160  -0.012  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.718   2.676  -0.279  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.102   5.523   1.319  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.284  -1.726  -0.291  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -2.783  -2.775   0.704  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1       -3.572  -4.072   0.549  0.00  0.00    +0.162 C 
ATOM     16  O   LIG    1       -4.151  -4.221  -0.750  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -3.286  -3.763  -1.785  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1       -3.187  -2.245  -1.733  0.00  0.00    +0.055 C 
ENDBRANCH   8  13
BRANCH   6  19
ATOM     19  N   LIG    1        0.291   1.423   0.159  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1        0.370   2.423   0.323  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.579   0.838   0.128  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        2.698   1.677   0.257  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1        2.506   2.998   0.412  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        4.004   1.193   0.229  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.231  -0.175   0.067  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        3.132  -1.030  -0.067  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        1.822  -0.527  -0.038  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.583  -0.698   0.033  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        6.198  -1.786   0.719  0.00  0.00    +0.136 A 
ATOM     30  N   LIG    1        7.494  -1.913   0.369  0.00  0.00    -0.170 NA
ATOM     31  N   LIG    1        7.692  -0.927  -0.523  0.00  0.00    -0.273 N 
ATOM     32  C   LIG    1        8.994  -0.767  -1.126  0.00  0.00    +0.172 C 
ATOM     33  C   LIG    1        6.586  -0.168  -0.753  0.00  0.00    +0.117 A 
BRANCH  29  34
ATOM     34  C   LIG    1        5.582  -2.708   1.725  0.00  0.00    +0.392 C 
ATOM     35  F   LIG    1        4.874  -2.025   2.668  0.00  0.00    -0.202 F 
ATOM     36  F   LIG    1        4.701  -3.568   1.141  0.00  0.00    -0.202 F 
ENDBRANCH  29  34
ENDBRANCH  25  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5