REMARK  Name = BDB039579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.111   1.450  -0.641  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.137   0.817   0.276  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.301   1.273  -0.076  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.701   1.078  -1.493  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.337   1.690  -2.358  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.789   1.236  -2.067  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.056   0.661   0.429  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.555   1.905   0.668  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.264   2.127   0.302  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.733   3.509   0.567  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.443   1.151  -0.298  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.008  -0.113  -0.513  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.328  -0.367  -0.149  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.419   1.496   1.938  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.101   1.542   1.367  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.507   2.357   1.503  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.479   0.430   0.840  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.014  -0.665   0.716  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.906  -0.339  -1.834  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.114  -0.948  -1.150  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.379  -0.345  -1.272  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.488  -0.915  -0.649  0.00  0.00    +0.052 A 
ATOM     23  N   LIG    1       -5.755  -0.293  -0.771  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -5.850   0.560  -1.303  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.912  -0.781  -0.189  0.00  0.00    +0.275 A 
ATOM     26  C   LIG    1       -6.729  -1.991   0.560  0.00  0.00    +0.134 A 
ATOM     27  N   LIG    1       -7.623  -2.753   1.259  0.00  0.00    -0.329 N 
ATOM     28  C   LIG    1       -9.033  -2.497   1.410  0.00  0.00    +0.150 C 
ATOM     29  C   LIG    1       -6.932  -3.809   1.794  0.00  0.00    +0.200 A 
ATOM     30  N   LIG    1       -5.652  -3.768   1.481  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1       -5.527  -2.642   0.717  0.00  0.00    +0.103 A 
ATOM     32  O   LIG    1       -7.986  -0.203  -0.324  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -4.344  -2.101   0.097  0.00  0.00    +0.026 A 
ATOM     34  C   LIG    1       -3.097  -2.709   0.217  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1       -1.986  -2.135  -0.406  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4