REMARK  Name = BDB008440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.678  -3.610  -0.093  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -2.592  -2.148   0.382  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1       -1.153  -1.619   0.109  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -1.117  -0.128   0.201  0.00  0.00    +0.029 A 
ATOM      5  N   LIG    1       -0.007   0.657   0.391  0.00  0.00    -0.342 N 
ATOM      6  C   LIG    1       -0.386   1.990   0.421  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.775   2.027   0.240  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -2.447   3.249   0.238  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -1.695   4.428   0.408  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.313   4.383   0.575  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.907   3.332   0.078  0.00  0.00    +0.272 A 
ATOM     12  O   LIG    1       -4.429   4.453   0.110  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -4.743   2.251  -0.103  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -5.709   2.554  -0.196  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -4.612   0.905  -0.234  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -3.531   0.199  -0.155  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        0.366   3.163   0.585  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -2.211   0.707   0.082  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -3.649  -1.309  -0.387  0.00  0.00    +0.064 C 
ATOM     20  C   LIG    1       -2.897  -2.120   1.895  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   5  21
ATOM     21  C   LIG    1        1.364   0.180   0.536  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.070   0.073  -0.824  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.461  -0.406  -0.834  0.00  0.00    -0.296 NA
ATOM     24  C   LIG    1        3.611  -1.787  -0.342  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        5.075  -2.249  -0.443  0.00  0.00    +0.175 C 
ATOM     26  O   LIG    1        5.943  -1.373   0.289  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        5.837  -0.037  -0.222  0.00  0.00    +0.175 C 
ATOM     28  C   LIG    1        4.393   0.482  -0.116  0.00  0.00    +0.112 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 3