REMARK  Name = BDB061082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.208  -0.304   0.164  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        5.898   0.219   0.483  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        4.690  -0.121  -0.094  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        4.630  -1.125  -1.188  0.00  0.00    +0.160 C 
ATOM      5  N   LIG    1        3.491  -0.901  -2.034  0.00  0.00    -0.308 N 
ATOM      6  H   LIG    1        3.645  -0.582  -2.983  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1        2.206  -1.306  -1.807  0.00  0.00    +0.240 C 
ATOM      8  C   LIG    1        1.839  -1.788  -0.396  0.00  0.00    +0.217 C 
ATOM      9  C   LIG    1        1.585  -0.602   0.553  0.00  0.00    +0.148 C 
ATOM     10  N   LIG    1        0.143  -0.428   0.363  0.00  0.00    -0.254 N 
ATOM     11  C   LIG    1       -0.404   0.826   0.413  0.00  0.00    +0.189 C 
ATOM     12  N   LIG    1        0.268   1.944   0.400  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.634   1.845   0.353  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -0.321  -1.621  -0.113  0.00  0.00    +0.186 C 
ATOM     15  C   LIG    1        2.329   0.695   0.419  0.00  0.00    +0.004 C 
ATOM     16  N   LIG    1        0.530  -2.547  -0.458  0.00  0.00    -0.261 NA
ATOM     17  O   LIG    1        1.404  -1.223  -2.738  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.749   0.648   0.576  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        4.496   1.418   1.496  0.00  0.00    +0.143 A 
ATOM     20  N   LIG    1        5.798   1.149   1.445  0.00  0.00    -0.179 NA
ENDROOT
BRANCH  11  21
ATOM     21  N   LIG    1       -1.768   0.924   0.421  0.00  0.00    -0.312 N 
ATOM     22  H   LIG    1       -1.996   1.912   0.317  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.534   0.382   1.535  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.001   0.628   1.323  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.704   0.122   0.232  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.252  -0.746  -0.883  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.466  -0.623  -1.803  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.617  -0.243  -1.016  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.070   0.341   0.097  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.799   1.061   1.022  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.116   1.585   2.118  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.739   1.366   2.260  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.124   1.875   3.337  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  11  21
TORSDOF 3