REMARK  Name = BDB037072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.225  -0.023  -0.248  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -2.582  -0.790   0.685  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -3.043  -1.399   1.631  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.158  -0.740   0.360  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -1.009   0.096  -0.729  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        0.228   0.368  -1.277  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.341  -0.236  -0.683  0.00  0.00    +0.131 A 
ATOM      8  O   LIG    1        2.544   0.056  -1.260  0.00  0.00    -0.485 OA
ATOM      9  C   LIG    1        3.740  -0.259  -0.510  0.00  0.00    +0.119 C 
ATOM     10  C   LIG    1        4.887  -0.316  -1.553  0.00  0.00    +0.063 C 
ATOM     11  C   LIG    1        5.622   1.016  -1.659  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1        6.273   1.361  -0.396  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1        6.537   2.347  -0.411  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        5.473   1.070   0.793  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1        3.990   0.893   0.491  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1        3.615  -1.654   0.119  0.00  0.00    +0.128 C 
ATOM     17  C   LIG    1        2.406  -1.756   1.027  0.00  0.00    +0.281 C 
ATOM     18  F   LIG    1        2.718  -1.209   2.236  0.00  0.00    -0.200 F 
ATOM     19  F   LIG    1        2.199  -3.082   1.287  0.00  0.00    -0.200 F 
ATOM     20  C   LIG    1        1.199  -1.106   0.418  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1       -0.077  -1.355   0.959  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.337   0.575  -1.101  0.00  0.00    +0.255 C 
ATOM     23  O   LIG    1       -2.556   1.354  -2.009  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  30
ATOM     24  O   LIG    1       -8.349   0.853   1.522  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1       -7.249   0.676   1.007  0.00  0.00    +0.219 C 
ATOM     26  N   LIG    1       -6.177   1.469   1.335  0.00  0.00    -0.255 N 
ATOM     27  H   LIG    1       -6.341   2.152   2.062  0.00  0.00    +0.158 HD
ATOM     28  C   LIG    1       -4.875   1.349   0.904  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -3.996   2.074   1.367  0.00  0.00    -0.273 OA
ATOM     30  C   LIG    1       -4.637   0.326  -0.212  0.00  0.00    +0.171 C 
ATOM     31  C   LIG    1       -5.576  -0.865  -0.041  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -7.015  -0.373  -0.056  0.00  0.00    +0.098 C 
ENDBRANCH   1  30
TORSDOF 1