REMARK  Name = BDB036252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.356  -0.888   0.004  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.643   0.232  -0.518  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1        0.265   0.181  -0.447  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.212   1.313  -1.063  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1        0.903   2.036  -1.430  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -0.428  -0.895   0.135  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.229  -1.932   0.579  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.049   1.354  -1.083  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        1.606  -1.901   0.493  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.672  -1.941   2.378  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.934  -1.554   1.130  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        4.538  -1.418   1.146  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.832  -1.027  -0.005  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.558  -0.742  -1.170  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        5.949  -0.860  -1.191  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.634  -1.263  -0.045  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1       -1.804  -0.888   0.227  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.084  -1.830   0.501  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.446   0.050   1.147  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.928  -0.193   1.174  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.739  -0.014   0.057  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.386   0.361  -1.334  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.785   0.639  -1.882  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.758  -0.060  -1.072  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -6.106  -0.264   0.116  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.728  -0.696   1.269  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.939  -0.868   2.406  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.561  -0.616   2.351  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.837  -0.798   3.464  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1        0.982   3.370  -2.088  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1        0.971   4.398  -1.049  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1        1.219   5.289  -1.474  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1        1.732   4.178  -0.403  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6