REMARK  Name = BDB025368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.311   0.189  -1.344  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.745   0.668  -0.089  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.032   0.813   0.493  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -2.140   1.387   1.576  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        0.340   0.984   0.698  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1        1.399   0.575   0.005  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1        2.824   0.656   0.487  0.00  0.00    +0.162 C 
ATOM      8  N   LIG    1        3.840   0.224  -0.528  0.00  0.00    -0.324 N 
ATOM      9  C   LIG    1        3.377  -0.851  -1.439  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        2.091  -0.442  -2.197  0.00  0.00    +0.059 C 
ATOM     11  C   LIG    1        1.054   0.050  -1.251  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -3.197   0.170  -0.246  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.540   0.724   0.222  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -5.387  -0.035   1.051  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.634   0.494   1.418  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -7.011   1.780   1.028  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -6.150   2.533   0.246  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -6.510   3.766  -0.136  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -5.090  -1.362   1.395  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -5.509  -1.622   2.286  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.693  -1.751   1.287  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -4.925   2.021  -0.163  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.153  -1.356  -0.080  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   8  24
ATOM     24  C   LIG    1        5.145   0.149  -0.013  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        5.939  -1.006  -0.088  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        7.238  -1.038   0.435  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.779   0.091   1.038  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.022   1.254   1.114  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.725   1.280   0.591  0.00  0.00    +0.023 A 
ENDBRANCH   8  24
BRANCH   1  30
ATOM     30  N   LIG    1       -1.094  -0.077  -2.425  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -0.606  -0.383  -3.268  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -1.765   0.637  -2.711  0.00  0.00    +0.144 HD
ENDBRANCH   1  30
TORSDOF 3