REMARK  Name = BDB016211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.869  -1.854  -0.488  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.942  -1.496   0.671  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.744  -0.804   0.223  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.110  -1.447  -0.248  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.727   0.483  -0.320  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.743   1.456  -0.161  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -2.608   2.718  -0.778  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.469   3.056  -1.497  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.432   2.151  -1.614  0.00  0.00    +0.030 A 
ATOM     10 CL   LIG    1       -1.340   4.610  -2.222  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1       -3.948   1.323   0.558  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -4.619   2.079   0.474  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -4.418   0.383   1.413  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.546   0.543   1.889  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -0.544   0.881  -1.024  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.578  -0.775   1.832  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  15  17
ATOM     17  C   LIG    1        0.624  -0.021  -1.187  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        1.719   0.202  -0.438  0.00  0.00    +0.078 C 
BRANCH  17  19
ATOM     19  C   LIG    1        0.586  -1.149  -2.158  0.00  0.00    +0.111 C 
ATOM     20  N   LIG    1       -0.447  -1.549  -2.824  0.00  0.00    -0.307 NA
ATOM     21  H   LIG    1       -1.267  -0.967  -2.623  0.00  0.00    +0.186 HD
ENDBRANCH  17  19
BRANCH  18  22
ATOM     22  N   LIG    1        2.921  -0.472  -0.371  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        2.930  -1.389  -0.813  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.982  -0.281   0.630  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1        4.484   1.169   0.614  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        5.150  -1.211   0.259  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        3.459  -0.659   2.022  0.00  0.00    +0.031 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  15  17
TORSDOF 4