REMARK  Name = BDB027726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.884   0.389   0.101  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1        2.318   1.641  -0.085  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        1.389   2.603  -0.166  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.022   2.354  -0.030  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.896   3.423  -0.155  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.415   4.698  -0.389  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.894   4.977  -0.505  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.325   1.015   0.216  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        1.747   3.923  -0.396  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.599   0.042   0.279  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11 CL   LIG    1        4.217   0.184  -2.055  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.958  -0.828  -0.680  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        2.880  -0.682   0.204  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        2.763  -1.630   1.240  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        3.704  -2.639   1.362  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        4.751  -2.782   0.529  0.00  0.00    -0.262 NA
ATOM     17  C   LIG    1        4.850  -1.876  -0.473  0.00  0.00    +0.131 A 
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -1.688   0.678   0.387  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -2.057   1.250   1.143  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.980  -0.741   0.601  0.00  0.00    +0.072 C 
ATOM     21  C   LIG    1       -1.859  -1.559  -0.699  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -3.256  -2.087  -1.002  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.917  -2.173   0.361  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.445  -0.899   1.040  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 3