REMARK  Name = BDB021725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.283   0.338  -0.753  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.710  -0.930  -0.351  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.076  -1.060  -0.237  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.601  -0.204  -0.108  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.920  -1.836  -0.097  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.809  -2.237   0.025  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -5.167  -2.088   0.344  0.00  0.00    +0.146 A 
ATOM      8  F   LIG    1       -5.699  -0.856   0.398  0.00  0.00    -0.203 F 
ATOM      9  C   LIG    1       -5.983  -3.183   0.609  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -5.436  -4.458   0.550  0.00  0.00    +0.044 A 
ATOM     11 CL   LIG    1       -6.425  -5.828   0.872  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -4.091  -4.636   0.227  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -3.278  -3.526  -0.039  0.00  0.00    +0.027 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.063   0.325  -0.434  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.272   0.960   0.619  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.795   0.557   0.658  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.156   0.683  -0.729  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.970  -0.080  -1.778  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.429   0.370  -1.751  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        3.750  -0.935  -0.108  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        2.890  -2.017   0.554  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.995  -0.668   0.775  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.247   0.449   0.990  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.002   0.291   0.130  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -2.159   1.297  -1.436  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.596   2.463  -0.577  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.667   2.391   0.823  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.111   3.482   1.572  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.499   4.658   0.934  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.446   4.742  -0.455  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.002   3.652  -1.205  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7