REMARK  Name = BDB006697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.800   0.576  -0.118  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        1.472   0.394   0.030  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.478  -0.564  -0.278  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.731  -0.009   0.244  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.488   1.338   0.870  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.668  -1.625  -0.846  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.969   1.482   0.673  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.063   2.323   0.893  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        2.100   3.654   1.543  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        3.188   1.775   0.390  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.977  -0.638   0.234  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.208  -1.816  -0.381  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.477  -2.385  -0.356  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.562  -1.811   0.278  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.617  -2.581   0.128  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.239  -3.677  -0.611  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -4.370  -0.564   0.948  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -5.493   0.139   1.669  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -3.958  -3.557  -0.900  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -3.140  -4.511  -1.681  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -3.127  -0.021   0.919  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   1  26
ATOM     22  C   LIG    1        5.790  -3.840   0.424  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        6.198  -2.428   0.102  0.00  0.00    +0.213 C 
ATOM     24  N   LIG    1        5.201  -1.639  -0.409  0.00  0.00    -0.298 N 
ATOM     25  C   LIG    1        3.756  -1.744  -0.265  0.00  0.00    +0.136 C 
ATOM     26  C   LIG    1        3.699  -0.323  -0.852  0.00  0.00    +0.142 C 
ATOM     27  C   LIG    1        5.180  -0.180  -0.457  0.00  0.00    +0.136 C 
ATOM     28  O   LIG    1        7.340  -2.021   0.297  0.00  0.00    -0.276 OA
ENDBRANCH   1  26
BRANCH   5  29
ATOM     29  C   LIG    1       -1.119   2.515   0.151  0.00  0.00    -0.022 A 
ATOM     30  C   LIG    1       -1.277   2.553  -1.247  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -1.861   3.658  -1.872  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -2.291   4.739  -1.109  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       -3.009   6.099  -1.879  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -2.142   4.726   0.275  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -1.559   3.622   0.902  0.00  0.00    +0.007 A 
ENDBRANCH   5  29
TORSDOF 3