REMARK  Name = BDB039609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.323  -0.957  -1.135  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.295  -0.848  -0.078  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.279   0.280  -0.368  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.351   0.237  -1.709  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.727   0.200  -2.723  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.808  -0.890  -2.517  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.961   0.803  -0.130  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.661  -0.410   0.404  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.473  -0.967   0.041  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.208  -2.335   0.607  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.543  -0.349  -0.828  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        3.915   0.897  -1.348  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.130   1.486  -1.001  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.246   1.050   1.721  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.022   0.603   1.117  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.568  -0.250   1.435  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.273   1.403   0.279  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.620   2.513  -0.106  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.269  -0.902  -1.875  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.508  -0.800  -1.007  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.326   0.340  -1.070  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.470   0.426  -0.277  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1       -5.275   1.587  -0.348  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -5.019   2.345  -0.965  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.426   1.772   0.394  0.00  0.00    +0.275 A 
ATOM     26  C   LIG    1       -6.749   0.673   1.260  0.00  0.00    +0.133 A 
ATOM     27  N   LIG    1       -7.804   0.537   2.114  0.00  0.00    -0.261 N 
ATOM     28  C   LIG    1       -8.864   1.490   2.349  0.00  0.00    +0.173 C 
ATOM     29  N   LIG    1       -7.798  -0.640   2.782  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -6.702  -1.259   2.329  0.00  0.00    +0.143 A 
ATOM     31  C   LIG    1       -6.013  -0.488   1.381  0.00  0.00    +0.034 A 
ATOM     32  O   LIG    1       -7.088   2.800   0.294  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -4.816  -0.635   0.586  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -4.012  -1.773   0.646  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -2.865  -1.854  -0.149  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4