REMARK  Name = BDB042670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.752   0.723  -0.080  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.826   0.531   0.997  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.418  -2.901  -0.993  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.383  -1.737  -0.609  0.00  0.00    +0.258 A 
ATOM      5  C   LIG    1       -5.556  -0.849  -0.724  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -5.453   0.459  -0.266  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1       -6.472   1.350  -0.327  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1       -7.632   0.907  -0.867  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -7.822  -0.382  -1.347  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.203   0.939   0.316  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -3.147   0.114   0.401  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -6.761  -1.280  -1.274  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -3.252  -1.185  -0.048  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -2.458  -1.810   0.033  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.585   1.212   0.496  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.162   0.327   1.522  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        1.550  -1.001   1.014  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        2.707  -0.982  -0.004  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.804  -0.020   0.389  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        3.618   0.846   1.404  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        2.328   0.955   2.171  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.083  -0.069  -0.342  0.00  0.00    -0.019 A 
ATOM     23  C   LIG    1        5.636   1.095  -0.884  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        6.835   1.005  -1.574  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        7.511  -0.147  -1.757  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        6.962  -1.259  -1.226  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        5.767  -1.272  -0.523  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5