REMARK  Name = BDB014897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.945  -4.381  -1.662  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.779  -3.153  -1.393  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.104  -2.002  -1.000  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.641  -1.867  -1.136  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.134  -0.714  -0.346  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.811  -0.270  -0.092  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.825   0.827   0.670  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.125   1.086   0.914  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.949   0.188   0.306  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.433   0.117   0.318  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.893  -0.760  -0.864  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.003  -3.204  -1.513  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.447   2.242   1.731  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.402   1.944   2.880  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.617   2.657   2.599  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.241   3.813   1.845  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.111   3.365   0.947  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.275  -0.911  -0.587  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1        0.129  -1.742  -1.152  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.659  -0.645  -0.465  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1        2.563  -1.512  -1.103  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.080  -2.556  -1.798  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.945  -1.333  -1.041  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        4.478  -0.259  -0.322  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        3.583   0.613   0.315  0.00  0.00    +0.133 A 
ATOM     26  F   LIG    1        4.031   1.675   1.004  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        2.198   0.426   0.247  0.00  0.00    +0.065 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.919  -0.077  -0.262  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.612   0.499   0.783  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        7.932   0.459   0.442  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        9.045   0.955   1.214  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        8.159  -0.121  -0.750  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.935  -0.443  -1.177  0.00  0.00    +0.143 A 
ENDBRANCH  24  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4