REMARK  Name = BDB064024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.159   3.883   0.315  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.715   2.785   0.048  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.434   1.490  -0.089  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.752   1.387   0.121  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.533   0.503  -0.430  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.613   1.110  -0.484  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.570   2.432  -0.207  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.321   3.095  -0.253  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.565   0.163   0.029  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.655   0.026   0.905  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.463  -1.122   0.811  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.223  -2.120  -0.135  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.103  -3.190  -0.109  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.990  -3.002   0.841  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.138  -1.963  -1.018  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.841  -1.560   1.750  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.327  -0.824  -0.931  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.770   0.475  -0.806  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -1.608  -0.531  -0.875  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.071   0.783  -0.199  0.00  0.00    +0.127 C 
ATOM     21  C   LIG    1       -4.175   0.293  -1.165  0.00  0.00    +0.139 C 
ATOM     22  C   LIG    1       -5.452  -0.018  -0.401  0.00  0.00    +0.061 C 
ATOM     23  C   LIG    1       -5.194  -1.102   0.641  0.00  0.00    +0.162 C 
ATOM     24  O   LIG    1       -3.818  -1.185   1.030  0.00  0.00    -0.378 OA
ATOM     25  C   LIG    1       -3.215   0.102   1.175  0.00  0.00    +0.184 C 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.437   1.294  -2.151  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1       -3.611   1.394  -2.661  0.00  0.00    +0.210 HD
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4