REMARK  Name = BDB039357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.239  -0.249   0.589  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.839   0.863  -0.130  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.447   1.894  -0.331  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.476   0.601  -0.599  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        2.067  -0.625  -0.076  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        0.803  -1.120  -0.355  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -0.046  -0.358  -1.178  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.402   0.882  -1.688  0.00  0.00    +0.133 A 
ATOM      9  F   LIG    1       -0.406   1.609  -2.474  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        1.670   1.379  -1.404  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        3.152  -1.203   0.769  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.995   2.918   1.930  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        7.258   1.955   1.727  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        6.336   1.578   2.667  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.266   2.188   3.469  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.391   0.589   2.584  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.504   0.496   3.434  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        5.462  -0.349   1.379  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        6.768  -0.244   0.594  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        7.304   1.168   0.443  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   7  21
ATOM     21  C   LIG    1       -1.397  -0.850  -1.493  0.00  0.00    +0.058 A 
ATOM     22  N   LIG    1       -1.765  -1.295  -2.773  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1       -3.037  -1.759  -3.081  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1       -2.990  -2.116  -4.409  0.00  0.00    +0.138 A 
ATOM     25  N   LIG    1       -1.741  -1.899  -4.930  0.00  0.00    -0.243 NA
ATOM     26  C   LIG    1       -4.019  -1.765  -2.055  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -3.696  -1.335  -0.815  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1       -1.035  -1.404  -3.935  0.00  0.00    +0.204 A 
ATOM     29  C   LIG    1       -2.336  -0.867  -0.522  0.00  0.00    +0.031 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -4.697  -1.327   0.323  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.877  -0.006   0.930  0.00  0.00    -0.298 NA
ATOM     32  C   LIG    1       -5.521   0.959   0.035  0.00  0.00    +0.085 C 
ATOM     33  C   LIG    1       -5.962   2.068   0.979  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -6.079   1.407   2.348  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -5.743  -0.057   2.109  0.00  0.00    +0.085 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   7  21
TORSDOF 4