REMARK  Name = BDB012438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.052  -0.951   0.022  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1        0.691  -1.010  -0.057  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.476  -0.308   0.506  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1       -1.582  -1.035  -0.218  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -1.063  -1.974  -1.161  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -1.640  -2.717  -1.936  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.356  -1.907  -1.020  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.552  -2.397  -1.521  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        1.770  -3.386  -2.600  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        2.591  -1.811  -0.899  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.943  -0.830   0.036  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.925  -1.371  -0.712  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.272  -1.153  -0.461  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -6.244  -1.778  -1.346  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.722  -0.348   0.579  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.904  -0.118   0.821  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.653   0.249   1.437  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.109   1.097   2.582  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.362  -0.001   1.158  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1       -0.449   1.187   0.218  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.315   2.104   1.275  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.273   3.479   1.028  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.362   3.953  -0.278  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.311   5.645  -0.578  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.492   3.063  -1.339  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.534   1.688  -1.094  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.161   0.164   0.606  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1        2.865  -0.237   0.933  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1        2.396   0.052   2.222  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        3.216   0.729   3.120  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.482   1.093   2.704  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1        4.966   0.830   1.474  0.00  0.00    -0.220 NA
BRANCH  27  33
ATOM     33  O   LIG    1        4.615   0.005  -0.683  0.00  0.00    -0.475 OA
BRANCH  33  35
ATOM     34  C   LIG    1        6.387  -0.145  -2.265  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        6.015   0.226  -0.841  0.00  0.00    +0.227 C 
ENDBRANCH  33  35
ENDBRANCH  27  33
ENDBRANCH   1  28
TORSDOF 5