REMARK  Name = BDB031039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.683  -0.653  -0.325  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1        3.586  -1.745  -1.164  0.00  0.00    +0.167 A 
ATOM      3  F   LIG    1        4.631  -2.514  -1.495  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        2.335  -2.034  -1.645  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        1.235  -1.316  -1.342  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.393  -0.268  -0.518  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        2.585   0.079   0.001  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       10.973   1.118   1.304  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1        9.526   0.828   1.113  0.00  0.00    +0.076 A 
ATOM     10  S   LIG    1        8.986   0.086  -0.337  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        7.366   0.126   0.246  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        7.356   0.710   1.512  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        6.125   0.850   2.176  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.948   0.401   1.560  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.951  -0.196   0.287  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.187  -0.327  -0.377  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        8.592   1.103   1.995  0.00  0.00    -0.244 NA
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1        0.330   0.530  -0.144  0.00  0.00    -0.268 N 
ATOM     19  H   LIG    1        0.607   1.280   0.470  0.00  0.00    +0.156 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.024   0.548  -0.418  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -1.708   1.549   0.181  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -3.043   1.636  -0.032  0.00  0.00    +0.117 A 
ATOM     23  C   LIG    1       -3.765   0.762  -0.832  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -3.049  -0.260  -1.448  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -1.672  -0.368  -1.236  0.00  0.00    +0.044 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.247   0.936  -1.045  0.00  0.00    +0.121 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -6.016   0.974   0.211  0.00  0.00    -0.296 NA
ATOM     28  C   LIG    1       -6.037  -0.336   0.901  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -6.938  -1.404   0.239  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1       -8.320  -0.942   0.025  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -8.737  -0.776   0.942  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -8.308   0.338  -0.702  0.00  0.00    +0.096 C 
ATOM     33  C   LIG    1       -7.409   1.405  -0.037  0.00  0.00    +0.100 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5