REMARK  Name = BDB037064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.194  -0.408   0.323  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -2.359   0.670   0.436  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -2.614   1.805   0.787  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.032   0.218   0.022  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -1.144  -1.103  -0.364  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.059  -1.823  -0.826  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        1.181  -1.162  -0.895  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.381  -1.908  -1.406  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1        3.540  -0.975  -1.706  0.00  0.00    +0.292 C 
ATOM     10  F   LIG    1        3.353  -0.443  -2.947  0.00  0.00    -0.201 F 
ATOM     11  F   LIG    1        4.684  -1.706  -1.781  0.00  0.00    -0.201 F 
ATOM     12  C   LIG    1        3.689   0.155  -0.671  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        4.725   1.174  -1.203  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1        5.406   1.913  -0.057  0.00  0.00    +0.085 C 
ATOM     15  N   LIG    1        6.186   1.006   0.785  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1        6.319   1.430   1.704  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        5.622  -0.335   0.912  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1        4.110  -0.360   0.729  0.00  0.00    +0.069 C 
ATOM     19  O   LIG    1        2.454   0.896  -0.502  0.00  0.00    -0.479 OA
ATOM     20  C   LIG    1        1.288   0.183  -0.478  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        0.170   0.892  -0.028  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -2.540  -1.496  -0.191  0.00  0.00    +0.255 C 
ATOM     23  O   LIG    1       -2.979  -2.597  -0.460  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  30
ATOM     24  O   LIG    1       -8.365   1.404   0.689  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1       -7.253   0.887   0.650  0.00  0.00    +0.219 C 
ATOM     26  N   LIG    1       -6.544   0.819  -0.524  0.00  0.00    -0.255 N 
ATOM     27  H   LIG    1       -6.968   1.273  -1.322  0.00  0.00    +0.158 HD
ATOM     28  C   LIG    1       -5.268   0.337  -0.714  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -4.724   0.429  -1.813  0.00  0.00    -0.273 OA
ATOM     30  C   LIG    1       -4.639  -0.368   0.492  0.00  0.00    +0.171 C 
ATOM     31  C   LIG    1       -5.102   0.293   1.788  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -6.621   0.238   1.861  0.00  0.00    +0.098 C 
ENDBRANCH   1  30
TORSDOF 1