REMARK  Name = BDB014393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.302  -1.525   1.161  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -1.394  -2.527   0.549  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1       -0.257  -2.923   1.522  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1        0.475  -1.749   2.053  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1       -0.453  -0.768   2.669  0.00  0.00    +0.125 C 
ATOM      6  C   LIG    1       -1.575  -0.344   1.697  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.156   0.693  -0.775  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -5.181  -0.218  -0.322  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1       -5.367  -1.576  -0.579  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1       -4.272  -2.182  -0.017  0.00  0.00    -0.326 N 
ATOM     11  H   LIG    1       -4.102  -3.172   0.036  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -3.458  -1.214   0.512  0.00  0.00    +0.197 A 
ATOM     13  C   LIG    1       -6.474  -2.087  -1.260  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1       -7.419  -1.157  -1.696  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -8.500  -1.596  -2.354  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1       -3.994  -0.027   0.346  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1       -7.278   0.207  -1.467  0.00  0.00    +0.053 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -6.332   2.973  -1.547  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -6.374   2.641  -2.501  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -6.105   3.949  -1.403  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -6.014   2.137  -0.509  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -5.652   2.585   0.569  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1        1.433  -1.212   1.183  0.00  0.00    +0.140 A 
ATOM     24  N   LIG    1        1.576  -1.726  -0.060  0.00  0.00    -0.236 NA
ATOM     25  C   LIG    1        2.533  -1.173  -0.856  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1        3.365  -0.145  -0.438  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1        3.256   0.382   0.805  0.00  0.00    -0.245 NA
ATOM     28  C   LIG    1        2.293  -0.180   1.586  0.00  0.00    +0.155 A 
BRANCH  26  29
ATOM     29  C   LIG    1        4.359   0.414  -1.403  0.00  0.00    +0.267 C 
ATOM     30  N   LIG    1        5.437   1.185  -0.965  0.00  0.00    -0.292 N 
ATOM     31  C   LIG    1        5.864   1.351   0.429  0.00  0.00    +0.136 C 
ATOM     32  C   LIG    1        7.348   1.731   0.518  0.00  0.00    +0.179 C 
ATOM     33  O   LIG    1        7.683   2.922  -0.205  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1        6.890   3.131  -1.383  0.00  0.00    +0.179 C 
ATOM     35  C   LIG    1        6.282   1.850  -1.958  0.00  0.00    +0.136 C 
ATOM     36  O   LIG    1        4.190   0.174  -2.601  0.00  0.00    -0.268 OA
ENDBRANCH  26  29
ENDBRANCH   4  23
TORSDOF 4