REMARK  Name = BDB051595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.149   1.147   0.493  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        3.990   0.482   0.032  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        4.121  -0.606  -0.905  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.863  -1.063  -1.177  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        2.012  -0.277  -0.430  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        5.290  -1.121  -1.450  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        6.413  -0.430  -0.967  0.00  0.00    +0.125 A 
ATOM      8  F   LIG    1        7.622  -0.813  -1.409  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1        2.688   0.635   0.318  0.00  0.00    -0.166 NA
ATOM     10  C   LIG    1        6.363   0.650  -0.044  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.590  -0.343  -0.371  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -0.109   0.557   0.445  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -1.505   0.509   0.515  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.227  -0.434  -0.224  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -1.529  -1.328  -1.036  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -0.130  -1.286  -1.113  0.00  0.00    +0.029 A 
BRANCH  14  17
ATOM     17  N   LIG    1       -3.628  -0.412  -0.095  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1       -4.016   0.294   0.528  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -4.567  -1.228  -0.706  0.00  0.00    +0.223 C 
ATOM     20  O   LIG    1       -4.300  -2.143  -1.490  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -6.030  -0.892  -0.314  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1       -6.494   0.579  -0.398  0.00  0.00    +0.095 C 
ATOM     23  N   LIG    1       -6.176   0.709   1.045  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1       -6.838   1.279   1.575  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -6.376  -0.754   1.185  0.00  0.00    +0.095 C 
ENDBRANCH  19  21
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  29
ATOM     26  N   LIG    1        6.139   2.370   2.323  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        6.738   1.585   2.533  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        6.033   3.078   3.039  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1        5.103   2.280   1.430  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1        4.209   3.113   1.427  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 4