REMARK  Name = BDB051591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.547  -0.397   0.007  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.195   0.959  -0.003  0.00  0.00    +0.146 A 
ATOM      3  F   LIG    1       -2.167   1.887   0.009  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        0.133   1.384  -0.025  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        1.156   0.431  -0.037  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        0.818  -0.932  -0.028  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.524  -1.342  -0.005  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1        2.527   0.818  -0.060  0.00  0.00    -0.239 N 
ATOM      9  N   LIG    1        3.508  -0.129  -0.072  0.00  0.00    -0.166 NA
ATOM     10  C   LIG    1        4.678   0.539  -0.092  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        4.398   1.951  -0.093  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.313   2.996  -0.111  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        6.631   2.507  -0.129  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1        6.980   1.129  -0.130  0.00  0.00    +0.053 A 
ATOM     15  F   LIG    1        7.629   3.404  -0.148  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        6.017   0.089  -0.112  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.040   2.097  -0.072  0.00  0.00    +0.123 A 
BRANCH  16  18
ATOM     18  C   LIG    1        6.424  -1.325  -0.113  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        7.607  -1.641  -0.131  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        5.436  -2.263  -0.095  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        4.454  -2.000  -0.081  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        5.689  -3.241  -0.096  0.00  0.00    +0.145 HD
ENDBRANCH  16  18
ENDBRANCH   5   8
BRANCH   1  24
ATOM     23  C   LIG    1       -3.528  -1.949   0.044  0.00  0.00    +0.223 C 
ATOM     24  N   LIG    1       -2.926  -0.700   0.030  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1       -3.531   0.114   0.037  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1       -2.901  -3.012   0.037  0.00  0.00    -0.275 OA
BRANCH  23  30
ATOM     27  C   LIG    1       -7.148   0.669   0.091  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -6.819  -0.752   0.091  0.00  0.00    -0.304 NA
ATOM     29  C   LIG    1       -5.801  -1.061   1.121  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -5.070  -1.924   0.068  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1       -5.833  -1.068  -0.968  0.00  0.00    +0.098 C 
ENDBRANCH  23  30
ENDBRANCH   1  24
TORSDOF 4