REMARK  Name = BDB034675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.913  -0.029   1.299  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.643   0.261   0.775  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.344   1.586   1.092  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.842   2.174   0.712  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.748   1.385  -0.008  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.466   0.039  -0.340  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.419   2.115   1.814  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.492   3.447   2.338  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.245  -0.528   0.070  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.405   1.120   1.964  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.474   1.225   2.544  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.381  -0.787  -1.025  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.928  -1.415  -1.688  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.775  -0.684  -1.229  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.361  -1.177  -2.407  0.00  0.00    +0.080 A 
ATOM     16 CL   LIG    1        3.416  -1.935  -3.635  0.00  0.00    -0.080 Cl
ATOM     17  C   LIG    1        5.733  -1.045  -2.583  0.00  0.00    +0.134 A 
ATOM     18  N   LIG    1        6.557  -0.469  -1.679  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.974  -0.017  -0.552  0.00  0.00    +0.131 A 
ATOM     20 CL   LIG    1        7.054   0.690   0.576  0.00  0.00    -0.062 Cl
ATOM     21  C   LIG    1        4.617  -0.097  -0.281  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.614  -1.287   1.221  0.00  0.00    +0.129 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.867  -1.225   0.345  0.00  0.00    +0.053 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.878  -2.059  -1.850  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.603  -0.929  -1.134  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.859  -0.756  -1.794  0.00  0.00    -0.392 OA
ATOM     27  H   LIG    1       -5.306   0.001  -1.374  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6