REMARK  Name = BDB034700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.681  -4.177  -1.779  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        0.667  -3.188  -0.740  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.385  -2.304  -0.476  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.007  -1.488   0.590  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.846  -0.507   1.081  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.105  -0.342   0.475  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.465  -1.176  -0.611  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.288  -1.862   0.978  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1       -1.607  -2.172  -1.095  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.724  -2.926   0.153  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.803  -3.492   0.211  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.943   0.694   0.941  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.830   0.877   1.936  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.953   1.442   0.293  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -5.062   1.942   1.001  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.037   2.631   0.292  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -7.445   3.297   1.028  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -5.995   2.857  -1.041  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -4.928   2.374  -1.702  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -3.904   1.670  -1.089  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.182   1.748   2.410  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -5.211   1.575   3.558  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1        2.092  -1.263   2.010  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.233  -0.372   1.480  0.00  0.00    +0.156 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.101  -0.035   2.579  0.00  0.00    -0.388 OA
ATOM     26  H   LIG    1        3.568   0.318   3.312  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
BRANCH  24  27
ATOM     27  C   LIG    1        2.709   0.913   0.831  0.00  0.00    +0.176 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.668   1.501  -0.091  0.00  0.00    -0.269 N 
ATOM     29  N   LIG    1        3.390   1.529  -1.410  0.00  0.00    -0.180 NA
ATOM     30  C   LIG    1        4.445   2.154  -1.940  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        5.380   2.549  -0.967  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        4.842   2.124   0.224  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 8