REMARK  Name = BDB021166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.190   0.951  -0.187  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.041  -0.088  -1.161  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.182  -0.193  -1.792  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.088  -1.233  -2.687  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1        1.193  -1.738  -2.554  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -1.273   0.655  -1.505  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.130   1.591  -0.608  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.877  -1.012  -1.598  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1        0.089   1.708   0.024  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.655   3.789   0.637  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.051   2.386   0.920  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.409   1.174   0.543  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.238   0.182   1.019  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        4.279   0.811   1.635  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        4.175   2.153   1.613  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1        5.434   0.190   2.274  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1        6.270  -0.605   1.272  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        5.019  -0.673   3.464  0.00  0.00    +0.032 C 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1        1.775  -2.857  -3.285  0.00  0.00    +0.357 C 
ATOM     20  O   LIG    1        2.904  -3.305  -3.150  0.00  0.00    -0.243 OA
BRANCH  19  21
ATOM     21  OXT LIG    1        0.940  -3.425  -4.191  0.00  0.00    -0.476 OA
ATOM     22  HXT LIG    1        1.499  -4.135  -4.568  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   6  23
ATOM     23  N   LIG    1       -2.456   0.465  -2.184  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.575  -0.365  -2.751  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.704   1.096  -1.807  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.592   0.103  -1.114  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.537  -0.131   0.256  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.644   0.438   1.294  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -4.381  -0.040   2.545  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -5.175  -1.201   2.206  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.357  -1.083   0.852  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -6.251  -1.846   0.129  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.323  -1.631  -1.246  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.501  -0.670  -1.850  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.581  -0.507  -3.179  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7