REMARK  Name = BDB028089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.785   0.628   0.267  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.846  -0.376   0.454  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.895  -1.329   1.207  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.734  -0.094  -0.459  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.073   1.020  -1.223  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.192   1.507  -2.171  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.034   0.850  -2.332  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.368  -0.291  -1.564  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -0.535  -0.767  -0.602  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.438   1.492  -0.854  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.558  -1.028   2.469  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.501  -0.595   2.017  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.090  -0.917   0.748  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.690  -1.549   0.235  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.022  -0.403   0.049  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.876  -0.668  -1.143  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.139   0.599   0.810  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.195   0.329   2.313  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.640   0.384   2.781  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.704  -0.961  -1.752  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.721  -0.291  -0.973  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.457  -0.058  -0.028  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        4.039  -0.670  -1.131  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.849   0.025  -0.260  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        4.416   0.822   0.180  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.388  -1.501  -1.958  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.234  -0.132  -0.065  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        6.989  -1.159  -0.637  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        8.363  -1.254  -0.387  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        8.986  -0.324   0.439  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       10.674  -0.441   0.745  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        8.246   0.702   1.020  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        6.873   0.795   0.770  0.00  0.00    +0.025 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4