REMARK  Name = BDB034162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.128  -1.172  -1.393  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.992  -1.911  -2.000  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        2.293  -1.092  -1.934  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.512  -0.490  -0.571  0.00  0.00    -0.039 C 
ATOM      5  C   LIG    1        1.516  -0.440   0.330  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        0.127  -0.942   0.041  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.849   0.022  -0.247  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.931  -0.786   0.117  0.00  0.00    +0.137 A 
ATOM      9 CL   LIG    1        4.809  -2.500   0.250  0.00  0.00    -0.061 Cl
ATOM     10  N   LIG    1        6.169  -0.332   0.419  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1        6.339   1.016   0.358  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        5.333   1.911   0.018  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.072   1.403  -0.287  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.709   1.524   0.694  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.626   0.537   0.982  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.266  -0.413   1.029  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.955   0.831   1.445  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.957   2.724   0.712  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.394  -1.888  -1.608  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.864   0.932   0.532  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.699  -0.376   1.249  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.513  -0.771   2.077  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.590  -1.123   0.939  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.496  -1.999   1.433  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.639  -0.725  -0.007  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.796   0.482  -0.685  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -3.930   0.940  -1.612  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -2.857   0.154  -1.868  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.609  -1.071  -1.245  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.532  -1.516  -0.291  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -5.958   1.311  -0.387  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -7.937   2.502   2.175  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.084   1.748   0.861  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5