REMARK  Name = BDB036399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.722   0.461   0.020  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.033  -0.708  -0.651  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.996  -0.942  -1.353  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.980  -1.678  -0.330  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.114  -1.094   0.596  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.022  -1.804   1.082  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.170  -3.108   0.586  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.716  -3.682  -0.345  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.813  -2.962  -0.813  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.593   0.282   0.921  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.494   1.606  -1.341  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.329   1.602  -0.948  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.043   1.380   0.373  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.838   1.154   0.954  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.816   1.302   0.979  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.719   0.944   2.154  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.590   1.629   0.126  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.926   2.330  -1.188  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.168   1.809  -1.887  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.954  -1.215   2.064  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.099  -0.659   1.377  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        1.927   0.103   0.739  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.270  -1.377   1.250  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        3.455  -2.474   1.765  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.328  -0.766   0.398  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.460   0.622   0.261  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        5.469   1.165  -0.555  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1        6.356   0.297  -1.211  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.236  -1.085  -1.062  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.227  -1.615  -0.257  0.00  0.00    +0.013 A 
BRANCH  27  31
ATOM     31  C   LIG    1        5.621   2.662  -0.685  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        4.427   3.316  -0.615  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.396   3.191   0.299  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        6.186   3.046  -1.862  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5