REMARK  Name = BDB060723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.868  -1.230  -0.073  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -0.407  -2.472   0.426  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        0.899  -2.791   0.034  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.470  -3.979   0.469  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.781  -4.874   1.284  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.518  -4.585   1.679  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1        1.650  -2.010  -0.744  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        1.116  -0.870  -1.183  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -1.122  -3.396   1.261  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -0.106  -0.454  -0.871  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.135  -0.746   0.326  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -2.749  -1.505   0.607  0.00  0.00    +0.155 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -3.174   2.570  -0.344  0.00  0.00    +0.038 A 
ATOM     14  N   LIG    1       -4.289   1.885   0.046  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -5.237   2.234   0.134  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -4.058   0.600   0.349  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1       -2.751   0.434   0.123  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1       -2.153   1.645  -0.297  0.00  0.00    +0.068 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -3.467   4.202  -2.197  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -3.194   4.008  -0.714  0.00  0.00    +0.051 C 
ENDBRANCH  13  20
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   8  21
ATOM     21  N   LIG    1        1.849  -0.025  -2.007  0.00  0.00    -0.305 N 
ATOM     22  H   LIG    1        1.341   0.858  -1.985  0.00  0.00    +0.150 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.240   0.151  -1.593  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1        3.995   0.846  -2.731  0.00  0.00    +0.034 C 
BRANCH  23  25
ATOM     25  C   LIG    1        3.321   0.992  -0.320  0.00  0.00    +0.061 A 
ATOM     26  N   LIG    1        2.821   2.259  -0.366  0.00  0.00    -0.257 NA
ATOM     27  C   LIG    1        2.844   2.978   0.783  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        3.339   2.498   1.984  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        3.333   3.473   3.395  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        3.840   1.203   2.020  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        3.829   0.436   0.856  0.00  0.00    +0.026 A 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   9  32
ATOM     32  O   LIG    1       -2.416  -3.058   1.581  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1       -3.092  -3.849   2.552  0.00  0.00    +0.277 C 
ENDBRANCH   9  32
TORSDOF 7