REMARK  Name = BDB014948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.174   3.687   0.113  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.688   3.526  -0.081  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.181   2.233  -0.110  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.740   2.116  -0.393  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.237   0.761  -0.044  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.918   0.237  -0.023  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.936  -1.048   0.342  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.230  -1.348   0.566  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.051  -0.289   0.326  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.528  -0.200   0.448  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.018   1.035  -0.338  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.968   4.519  -0.197  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.550  -2.699   0.994  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.433  -2.759   2.233  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.707  -3.263   1.802  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.439  -4.135   0.700  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.299  -3.498  -0.064  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.162   0.996  -0.340  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1       -0.006   1.970  -0.557  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.536   0.682  -0.429  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        2.444   1.714  -0.726  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        3.834   1.492  -0.824  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.329   0.192  -0.634  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1        3.433  -0.842  -0.333  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        2.059  -0.596  -0.231  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.740  -0.120  -0.735  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.492  -0.652   0.291  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.756  -0.792  -0.201  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.908  -1.311   0.496  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.884  -0.382  -1.476  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.651   0.015  -1.805  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
BRANCH  22  32
ATOM     32  C   LIG    1        4.740   2.655  -1.139  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        4.131   3.867  -0.971  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        5.166   2.645  -2.433  0.00  0.00    -0.204 F 
ENDBRANCH  22  32
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5