REMARK  Name = BDB006596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.160  -0.380   0.340  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.178   0.794   1.218  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1        1.632   0.624   1.375  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.762   1.157   1.982  0.00  0.00    +0.141 A 
ATOM      5  N   LIG    1        3.855   0.433   1.691  0.00  0.00    -0.178 NA
ATOM      6  N   LIG    1        3.401  -0.568   0.880  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1        2.068  -0.469   0.690  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1        1.010  -1.136   0.017  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1        1.127  -2.140  -0.664  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1       -3.337  -3.251  -2.222  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1       -3.015  -2.118  -1.299  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -4.170  -1.320  -0.788  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.316  -1.609  -1.119  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1       -3.840  -0.264   0.057  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1       -4.905   0.573   0.590  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1       -2.533   0.026   0.414  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1       -1.474  -0.683  -0.029  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -1.766  -1.792  -0.924  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.009   2.162   0.589  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.335   3.257   1.411  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.513   4.532   0.869  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.363   4.729  -0.502  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -0.584   6.299  -1.168  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.034   3.663  -1.333  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.145   2.387  -0.792  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   6  26
ATOM     26  C   LIG    1        4.346  -1.549   0.362  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1        4.057  -2.956   0.881  0.00  0.00    +0.032 C 
ATOM     28  C   LIG    1        4.443  -1.508  -1.161  0.00  0.00    +0.032 C 
ENDBRANCH   6  26
TORSDOF 3