REMARK  Name = BDB014966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.036   4.584  -0.094  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.584   4.243  -0.307  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.223   2.903  -0.235  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.812   2.602  -0.543  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.451   1.234  -0.084  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.201   0.565  -0.042  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.352  -0.674   0.439  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.661  -0.795   0.724  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.365   0.321   0.396  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.818   0.577   0.537  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.194   1.792  -0.339  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.765   5.136  -0.526  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.158  -2.018   1.303  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.050  -3.225   0.390  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.119  -4.381   1.245  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.849  -3.961   2.591  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.425  -2.507   2.537  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1       -0.054   1.155  -0.453  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1       -0.095   2.118  -0.777  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.280   0.687  -0.508  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.273   1.554  -0.993  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        1.922   2.792  -1.383  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.612   1.181  -1.088  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.002  -0.100  -0.695  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.029  -0.981  -0.207  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.685  -0.591  -0.117  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.388  -0.514  -0.788  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.988  -1.699  -1.298  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1        5.332  -2.873  -1.927  0.00  0.00    +0.068 C 
ATOM     30  N   LIG    1        7.322  -1.675  -1.167  0.00  0.00    -0.176 NA
ATOM     31  N   LIG    1        7.571  -0.488  -0.589  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1        8.933  -0.118  -0.290  0.00  0.00    +0.172 C 
ATOM     33  C   LIG    1        6.450   0.246  -0.345  0.00  0.00    +0.116 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4