REMARK  Name = BDB021701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.393   0.291   1.000  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.772  -0.956   0.494  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.073  -1.319   0.771  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.426  -0.986   1.655  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.997  -1.680  -0.125  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.791  -2.384   0.189  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.416  -3.005  -1.006  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -4.189  -4.042  -1.543  0.00  0.00    +0.061 A 
ATOM      9 CL   LIG    1       -3.659  -4.758  -3.026  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -5.351  -4.460  -0.888  0.00  0.00    +0.059 A 
ATOM     11 CL   LIG    1       -6.354  -5.730  -1.490  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -5.737  -3.834   0.298  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -4.964  -2.798   0.831  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.889   0.624   0.214  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.421   0.331   1.568  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.982  -0.183   1.665  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.022   0.722   0.883  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.506   0.907  -0.560  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.945   1.417  -0.573  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        3.570  -0.454  -0.522  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        2.853  -1.808  -0.546  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.011  -0.655   0.012  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.298   0.344   0.380  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.869   0.614  -0.066  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       -2.350   1.339   1.388  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.598   2.352   0.295  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.181   3.683   0.450  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.409   4.619  -0.561  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.055   4.237  -1.734  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.476   2.919  -1.899  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.250   1.981  -0.890  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7