REMARK  Name = BDB019001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.133   0.768   0.012  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1        0.227   0.384  -0.020  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.152   1.041  -0.850  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.498   0.635  -0.874  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.960  -0.419  -0.072  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.056  -1.086   0.767  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        0.722   2.154  -1.770  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.623   2.732  -1.364  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.703  -0.679   0.769  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.606   1.599  -1.106  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -5.546   0.554  -1.650  0.00  0.00    +0.062 C 
ATOM     12  C   LIG    1       -4.926  -0.725  -1.094  0.00  0.00    +0.256 C 
ATOM     13  C   LIG    1       -5.867  -1.325  -0.045  0.00  0.00    +0.258 C 
ATOM     14  O   LIG    1       -6.916  -1.898  -0.327  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1       -5.503  -1.115   1.254  0.00  0.00    -0.279 N 
ATOM     16  H   LIG    1       -6.142  -1.446   1.965  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -4.290  -0.517   1.595  0.00  0.00    +0.078 A 
ATOM     18  C   LIG    1       -4.008  -0.298   2.943  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -2.791   0.270   3.309  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -1.859   0.611   2.327  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -2.117   0.395   0.960  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -3.360  -0.173   0.602  0.00  0.00    +0.164 A 
ATOM     23  O   LIG    1       -3.581  -0.443  -0.727  0.00  0.00    -0.476 OA
ENDBRANCH   1  21
BRANCH   5  24
ATOM     24  C   LIG    1        4.359  -0.785  -0.162  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.403   0.066   0.135  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.545  -0.649  -0.081  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.901  -0.199   0.113  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.321  -1.898  -0.530  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.988  -1.983  -0.565  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1        2.466  -2.229   1.659  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        3.545  -1.948   2.442  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        2.779  -3.358   0.963  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 3