REMARK  Name = BDB039288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.267   1.569  -0.921  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.781   1.866  -1.921  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.909   0.814  -2.045  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.566   0.584  -0.748  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.762   0.877   0.452  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.255   0.697   0.157  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.864   0.115  -0.668  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.523  -0.508  -1.736  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -5.794  -0.985  -1.728  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.482  -0.847  -0.574  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.943  -0.253   0.558  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.631   0.226   0.499  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.887  -1.372  -0.566  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.814  -0.600   0.122  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -8.571   0.359   0.329  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1      -10.214  -0.940   0.070  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.185  -2.410  -1.148  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.465   0.993  -1.550  0.00  0.00    +0.119 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.626  -0.550   2.052  0.00  0.00    +0.259 C 
ATOM     20  C   LIG    1        5.875  -1.854   1.732  0.00  0.00    +0.258 C 
ATOM     21  O   LIG    1        6.246  -2.961   2.117  0.00  0.00    -0.271 OA
ATOM     22  N   LIG    1        4.791  -1.722   0.909  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        4.332  -2.573   0.615  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        4.276  -0.469   0.580  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        4.819   0.679   1.156  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        4.272   1.926   0.867  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.192   2.025  -0.012  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.639   0.876  -0.600  0.00  0.00    -0.031 A 
ATOM     29  C   LIG    1        3.190  -0.378  -0.292  0.00  0.00    +0.032 A 
ATOM     30  O   LIG    1        5.853   0.656   2.052  0.00  0.00    -0.478 OA
BRANCH  19  32
ATOM     31  C   LIG    1        8.915  -1.375   1.256  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1        7.808  -0.345   1.089  0.00  0.00    +0.051 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5