REMARK  Name = BDB056625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.032  -0.067   0.360  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -1.492  -0.932   1.304  0.00  0.00    -0.285 N 
ATOM      3  C   LIG    1       -1.113  -0.356   2.627  0.00  0.00    +0.176 C 
ATOM      4  C   LIG    1       -1.325  -1.363   3.783  0.00  0.00    +0.113 C 
ATOM      5  N   LIG    1       -0.696  -2.685   3.605  0.00  0.00    -0.312 NA
ATOM      6  H   LIG    1       -1.212  -3.379   4.146  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -0.595  -3.087   2.200  0.00  0.00    +0.100 C 
ATOM      8  C   LIG    1       -1.590  -2.395   1.255  0.00  0.00    +0.124 C 
ATOM      9  O   LIG    1       -2.037   1.153   0.561  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        0.323   0.214   2.693  0.00  0.00    +0.235 C 
ATOM     11  N   LIG    1        0.999   0.232   1.497  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.586  -0.275   0.728  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1        0.808   0.668   3.729  0.00  0.00    -0.274 OA
BRANCH  11  14
ATOM     14  C   LIG    1        2.374   0.649   1.401  0.00  0.00    +0.140 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.692   1.090  -0.007  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        2.201   2.300  -0.553  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1        2.497   2.605  -1.897  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        3.277   1.754  -2.680  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.758   0.572  -2.136  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        4.705  -0.493  -3.101  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.469   0.236  -0.815  0.00  0.00    +0.025 A 
BRANCH  16  22
ATOM     22  C   LIG    1        1.293   3.233   0.227  0.00  0.00    +0.113 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.661   4.637   0.043  0.00  0.00    -0.326 NA
ATOM     24  H   LIG    1        1.036   5.207   0.613  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        2.598   4.777   0.425  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   3  10
BRANCH   1  26
ATOM     26  C   LIG    1       -2.610  -0.605  -0.986  0.00  0.00    +0.205 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -0.946   0.766  -2.352  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -1.596  -0.618  -2.173  0.00  0.00    -0.003 C 
ATOM     29  C   LIG    1       -2.353  -0.956  -3.478  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -0.483  -1.665  -2.002  0.00  0.00    +0.013 C 
ENDBRANCH  26  28
BRANCH  26  31
ATOM     31  O   LIG    1       -3.289  -1.852  -0.891  0.00  0.00    -0.382 OA
ATOM     32  H   LIG    1       -4.121  -1.681  -0.418  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH   1  26
TORSDOF 8