REMARK  Name = BDB008419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.668  -0.793   2.794  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.636  -0.654   2.130  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.783  -0.361   0.696  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.674  -0.174  -0.129  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.851   0.124  -1.485  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -4.119   0.236  -2.063  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.214   0.040  -1.223  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -6.447   0.140  -1.736  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -1.597   0.267  -2.042  0.00  0.00    -0.357 N 
ATOM     10  H   LIG    1       -1.416   0.491  -3.013  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.651   0.070  -1.075  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        0.823   0.159  -1.267  0.00  0.00    +0.062 C 
ATOM     13  C   LIG    1        1.484   0.422   0.114  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1        0.950  -0.541   1.203  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -0.576  -0.490   1.319  0.00  0.00    +0.071 A 
ATOM     16  N   LIG    1       -1.109  -0.736   2.471  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -1.297  -0.220   0.108  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -5.064  -0.250   0.127  0.00  0.00    +0.052 A 
ATOM     19  N   LIG    1       -2.431  -0.779   2.790  0.00  0.00    -0.242 N 
ATOM     20  H   LIG    1       -2.581  -0.986   3.775  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  13  21
ATOM     21  C   LIG    1        2.999   0.390   0.015  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        3.736   1.565   0.227  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.130   1.558   0.135  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.804   0.378  -0.170  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.085  -0.796  -0.384  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.692  -0.791  -0.293  0.00  0.00    +0.004 A 
ENDBRANCH  13  21
TORSDOF 1