REMARK  Name = BDB014386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.435  -0.867   0.101  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1        0.918   0.324  -0.619  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.618   0.259  -0.746  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.263   0.102   0.585  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.729  -1.065   1.325  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.814  -1.011   1.437  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.611   0.290   0.586  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.322   0.313   1.759  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -2.921   0.219   2.678  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.642   0.545   1.470  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.672   0.683   0.084  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -5.905   0.940  -0.550  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -7.061   1.050   0.243  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -6.981   0.909   1.624  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -8.099   1.019   2.355  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -5.775   0.654   2.278  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -3.399   0.536  -0.435  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -6.019   1.095  -2.018  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -7.098   1.318  -2.555  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -4.876   0.979  -2.754  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.978   0.801  -2.308  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -4.924   1.087  -3.756  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        5.607  -0.978   0.210  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1        4.971   0.128  -0.216  0.00  0.00    -0.143 NA
ATOM     25  N   LIG    1        3.587   0.159  -0.254  0.00  0.00    -0.133 NA
ATOM     26  C   LIG    1        2.845  -0.896   0.152  0.00  0.00    +0.144 A 
ATOM     27  C   LIG    1        3.499  -2.045   0.587  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        4.893  -2.090   0.623  0.00  0.00    +0.038 A 
BRANCH  23  32
ATOM     29  C   LIG    1        7.443   1.202  -0.988  0.00  0.00    +0.128 C 
ATOM     30  N   LIG    1        7.867   0.016  -0.281  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1        8.862  -0.139  -0.170  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        7.100  -0.997   0.249  0.00  0.00    +0.264 C 
ATOM     33  O   LIG    1        7.678  -1.952   0.772  0.00  0.00    -0.268 OA
ENDBRANCH  23  32
ENDBRANCH   1  26
TORSDOF 4