REMARK  Name = BDB014163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.002   1.181  -0.704  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -1.171   0.801  -0.099  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -2.180   1.244  -0.935  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -1.627   1.883  -2.029  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.328   1.829  -1.860  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1        3.266  -2.105   0.365  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.995  -1.205  -0.043  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        3.517  -0.094  -0.739  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        2.100  -0.054  -1.094  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1        1.341   0.935  -0.194  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1        2.136   2.244   0.034  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.313   2.382  -0.934  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1        4.248   1.172  -0.842  0.00  0.00    +0.108 C 
BRANCH   7  14
ATOM     14  C   LIG    1        5.447  -1.306   0.235  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        5.864  -1.580   1.542  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        7.226  -1.694   1.825  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        8.165  -1.551   0.803  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.748  -1.304  -0.506  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.387  -1.188  -0.794  0.00  0.00    +0.013 A 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1       -3.618   1.086  -0.722  0.00  0.00    +0.091 A 
ATOM     21  N   LIG    1       -4.426   1.850  -1.497  0.00  0.00    -0.253 NA
ATOM     22  C   LIG    1       -5.757   1.739  -1.323  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -6.345   0.885  -0.407  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -5.515   0.086   0.377  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.128   0.199   0.221  0.00  0.00    +0.040 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -6.037  -0.837   1.364  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -7.163  -1.625   1.291  0.00  0.00    +0.166 A 
ATOM     28  N   LIG    1       -7.161  -2.309   2.471  0.00  0.00    -0.253 N 
ATOM     29  H   LIG    1       -7.816  -3.005   2.817  0.00  0.00    +0.191 HD
ATOM     30  N   LIG    1       -6.104  -1.986   3.226  0.00  0.00    -0.067 NA
ATOM     31  N   LIG    1       -5.398  -1.088   2.553  0.00  0.00    -0.129 NA
BRANCH  27  32
ATOM     32  C   LIG    1       -8.205  -1.851   0.298  0.00  0.00    +0.436 C 
ATOM     33  F   LIG    1       -7.707  -2.042  -0.945  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1       -8.944  -2.950   0.601  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1       -9.070  -0.810   0.230  0.00  0.00    -0.164 F 
ENDBRANCH  27  32
ENDBRANCH  24  26
ENDBRANCH   3  20
TORSDOF 5