REMARK  Name = BDB057945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.578  -0.021  -1.472  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        0.793  -1.176  -2.213  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.137  -2.210  -1.546  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        0.223  -3.520  -2.069  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.960  -3.760  -3.231  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.611  -2.715  -3.877  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.525  -1.643  -0.413  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        1.543  -1.410  -3.381  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.337  -0.267  -0.459  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -0.959   0.805   0.514  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.370   2.148   0.244  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.771   2.706   1.463  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -2.215   4.029   1.590  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -2.290   4.798   0.427  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -1.959   4.265  -0.813  0.00  0.00    +0.021 A 
ATOM     16 CL   LIG    1       -2.833   6.429   0.531  0.00  0.00    -0.083 Cl
ATOM     17  N   LIG    1       -1.664   1.720   2.415  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -1.903   1.830   3.391  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -1.514   2.941  -0.917  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -1.223   0.559   1.843  0.00  0.00    +0.093 A 
ENDBRANCH   9  10
BRANCH   7  21
ATOM     21  C   LIG    1       -1.389  -2.351   0.517  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -0.830  -3.232   1.450  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -1.654  -3.934   2.332  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.037  -3.762   2.282  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.599  -2.892   1.348  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.778  -2.189   0.464  0.00  0.00    +0.008 A 
ENDBRANCH   7  21
BRANCH   1  27
ATOM     27  C   LIG    1        1.421   1.168  -1.591  0.00  0.00    +0.157 C 
BRANCH  27  32
ATOM     28 CL   LIG    1        5.301   1.750   2.999  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.199   1.583   1.688  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        3.227   2.558   1.473  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        2.331   2.422   0.411  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        2.395   1.309  -0.441  0.00  0.00    -0.028 A 
ATOM     33  C   LIG    1        3.387   0.340  -0.214  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1        4.283   0.476   0.849  0.00  0.00    +0.020 A 
ENDBRANCH  27  32
ENDBRANCH   1  27
TORSDOF 4