REMARK  Name = BDB014908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.673   4.012  -1.886  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.204   3.677  -1.843  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.852   2.390  -1.456  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.416   2.072  -1.516  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.113   0.833  -0.748  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.869   0.244  -0.419  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.059  -0.874   0.285  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.396  -1.007   0.423  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.073  -0.003  -0.207  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.532   0.256  -0.307  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.794   1.253  -1.457  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.366   4.532  -2.133  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.845  -2.131   1.228  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -4.118  -2.820   0.782  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -5.201  -2.256   1.539  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.657  -1.554   2.665  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.157  -1.750   2.660  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.311   0.789  -0.798  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.294   1.661  -1.319  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.649   0.384  -0.585  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.680   1.173  -1.117  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.362   2.282  -1.805  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.027   0.849  -0.960  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        4.398  -0.302  -0.256  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        3.379  -1.098   0.283  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        2.025  -0.760   0.120  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.802  -0.653  -0.091  0.00  0.00    +0.158 A 
ATOM     28  C   LIG    1        6.536  -1.801   0.158  0.00  0.00    +0.084 A 
ATOM     29  C   LIG    1        6.091  -3.200   0.330  0.00  0.00    +0.069 C 
ATOM     30  N   LIG    1        7.879  -1.492   0.224  0.00  0.00    -0.218 NA
ATOM     31  C   LIG    1        7.918  -0.196   0.009  0.00  0.00    +0.193 A 
ATOM     32  C   LIG    1        9.086   0.703  -0.040  0.00  0.00    +0.109 C 
ATOM     33  O   LIG    1        6.699   0.382  -0.194  0.00  0.00    -0.440 OA
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4