REMARK  Name = BDB062305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.792   1.273   2.033  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.994   1.760   0.599  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -3.440   1.720   0.154  0.00  0.00    +0.023 C 
ATOM      4  C   LIG    1       -3.913   2.786  -0.821  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1       -4.359   2.844   0.610  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -4.027   0.339   0.002  0.00  0.00    +0.238 C 
ATOM      7  O   LIG    1       -3.557  -0.262  -1.201  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1       -2.353  -0.935  -1.038  0.00  0.00    +0.207 A 
ATOM      9  C   LIG    1       -2.372  -2.370  -1.475  0.00  0.00    +0.295 A 
ATOM     10  N   LIG    1       -1.164  -3.051  -1.512  0.00  0.00    -0.308 N 
ATOM     11  C   LIG    1        0.041  -2.466  -1.034  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        0.033  -1.143  -0.558  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        1.226  -0.628   0.002  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        2.417  -1.363   0.051  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        2.409  -2.654  -0.470  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        1.237  -3.202  -0.997  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.173  -4.426  -1.988  0.00  0.00    +0.152 C 
ATOM     18  O   LIG    1       -3.444  -2.892  -1.787  0.00  0.00    -0.264 OA
ATOM     19  C   LIG    1       -1.217  -0.332  -0.623  0.00  0.00    +0.084 A 
ATOM     20  N   LIG    1       -1.129   1.031  -0.321  0.00  0.00    -0.337 N 
ATOM     21  H   LIG    1       -0.193   1.414  -0.359  0.00  0.00    +0.146 HD
ENDROOT
BRANCH  14  22
ATOM     22  N   LIG    1        3.622  -0.835   0.551  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        4.242  -1.549   0.930  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.095   0.495   0.635  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.966   0.897   1.665  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        5.349   2.231   1.714  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        6.406   2.865   2.919  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        4.941   3.176   0.837  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        4.112   2.773  -0.142  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        3.665   1.469  -0.276  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        5.439  -0.037   2.636  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        5.808  -0.841   3.388  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH  14  22
TORSDOF 3