REMARK  Name = BDB008285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.550   0.179  -0.190  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.226   0.328   0.038  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.643  -0.576  -0.465  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.233  -1.649  -1.226  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -1.126  -1.776  -1.466  0.00  0.00    +0.047 A 
ATOM      6 CL   LIG    1       -1.703  -3.089  -2.423  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1       -2.038  -0.859  -0.952  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -3.617   1.492   0.565  0.00  0.00    +0.235 C 
ATOM      9  N   LIG    1       -2.299   1.194   0.395  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1       -1.706   1.911   0.797  0.00  0.00    +0.156 HD
ATOM     11  O   LIG    1       -3.870   2.607   1.040  0.00  0.00    -0.274 OA
BRANCH   8  13
ATOM     12  C   LIG    1       -6.114   1.154   0.359  0.00  0.00    +0.033 C 
ATOM     13  C   LIG    1       -4.739   0.502   0.206  0.00  0.00    +0.135 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -4.692  -0.667   1.098  0.00  0.00    -0.320 NA
ATOM     15  H   LIG    1       -5.399  -1.347   0.824  0.00  0.00    +0.119 HD
ATOM     16  H   LIG    1       -3.789  -1.132   1.061  0.00  0.00    +0.119 HD
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        1.972  -0.300  -0.140  0.00  0.00    -0.265 N 
ATOM     18  H   LIG    1        2.062   0.510   0.460  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        3.095  -1.035  -0.458  0.00  0.00    +0.268 C 
ATOM     20  O   LIG    1        3.115  -2.083  -1.092  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.374  -0.445   0.045  0.00  0.00    +0.126 A 
ATOM     22  N   LIG    1        5.190  -1.282   0.732  0.00  0.00    -0.250 NA
ATOM     23  C   LIG    1        6.346  -0.760   1.194  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.721   0.561   1.009  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.866   1.402   0.302  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.668   0.895  -0.193  0.00  0.00    +0.033 A 
ENDBRANCH  19  21
ENDBRANCH   3  17
TORSDOF 5