REMARK  Name = BDB019825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.167   2.111   0.119  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.973   2.258  -0.583  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.029   1.222  -0.592  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.292   0.025   0.090  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.488  -0.134   0.805  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -2.414   0.921   0.811  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.229   1.425  -1.361  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.334   0.729  -0.922  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.325   0.332   0.007  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.258   2.202  -2.309  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.624   0.959  -1.530  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.628  -0.045  -1.029  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.484   0.271   0.038  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        6.406  -0.668   0.534  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1        7.310  -0.286   1.673  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        6.452  -1.940  -0.054  0.00  0.00    +0.044 A 
ATOM     17 CL   LIG    1        7.552  -3.152   0.498  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        5.598  -2.266  -1.110  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.688  -1.325  -1.593  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  O   LIG    1       -3.163   3.042   0.215  0.00  0.00    -0.492 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -4.265   5.075  -0.359  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -3.021   4.230  -0.564  0.00  0.00    +0.225 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   5  23
ATOM     23  C   LIG    1       -1.786  -1.423   1.538  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.834  -2.177   0.884  0.00  0.00    -0.313 N 
ATOM     25  C   LIG    1       -4.173  -2.239   1.292  0.00  0.00    +0.204 A 
ATOM     26  N   LIG    1       -4.759  -1.692   2.296  0.00  0.00    -0.268 NA
ATOM     27  H   LIG    1       -4.092  -1.146   2.837  0.00  0.00    +0.190 HD
ATOM     28  N   LIG    1       -4.784  -3.054   0.335  0.00  0.00    -0.320 N 
ATOM     29  C   LIG    1       -6.207  -3.278   0.285  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1       -3.865  -3.419  -0.635  0.00  0.00    +0.106 A 
ATOM     31  C   LIG    1       -2.678  -2.897  -0.298  0.00  0.00    +0.107 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 7