REMARK  Name = BDB062310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.913  -2.973  -0.560  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.630  -1.891   0.248  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -1.675  -0.870   0.633  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -0.946  -1.198   1.258  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.409   0.335  -0.008  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1        0.036   0.673  -0.193  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        0.418   1.954  -0.614  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -0.580   2.900  -0.966  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -1.926   2.572  -0.965  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -2.792   3.346  -1.384  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -0.200   4.223  -1.441  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        1.784   2.265  -0.725  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.770   1.311  -0.459  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.421   0.014  -0.105  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        1.056  -0.285   0.023  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -2.343   1.234  -0.401  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -3.712   1.112  -0.305  0.00  0.00    -0.479 OA
ATOM     18  C   LIG    1       -4.424  -0.063   0.085  0.00  0.00    +0.107 C 
ATOM     19  C   LIG    1       -4.597  -0.083   1.609  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1       -5.822   0.127  -0.539  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -3.824  -1.341  -0.520  0.00  0.00    +0.069 C 
ENDROOT
BRANCH  14  22
ATOM     22  N   LIG    1        3.366  -0.991   0.183  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        3.027  -1.923  -0.050  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.720  -0.915   0.584  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.655  -1.893   0.196  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.976  -1.731   0.595  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        8.225  -2.848   0.193  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        7.429  -0.694   1.334  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        6.521   0.229   1.698  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        5.182   0.164   1.349  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        5.260  -3.021  -0.585  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        4.875  -3.925  -1.202  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH  14  22
TORSDOF 3