REMARK  Name = BDB029615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.040   2.846   0.432  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.423   2.152  -0.774  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -0.981   0.704  -0.602  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        0.149  -0.323  -0.469  0.00  0.00    +0.029 C 
ATOM      5  N   LIG    1       -1.862   0.567   0.587  0.00  0.00    -0.322 N 
ATOM      6  C   LIG    1       -1.878   1.700   1.534  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -0.459   2.287   1.688  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.094  -0.073   0.429  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -4.158   0.331  -0.398  0.00  0.00    +0.162 A 
ATOM     10  N   LIG    1       -5.346  -0.329  -0.506  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1       -5.489  -1.449   0.251  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1       -4.512  -1.930   1.107  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.311  -1.230   1.191  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -6.798  -2.171   0.130  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -7.673  -1.616  -0.780  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.391  -0.736  -1.202  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.017  -2.099  -0.947  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -7.043  -3.164   0.805  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
BRANCH   9  19
ATOM     19  C   LIG    1       -4.089   1.518  -1.207  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1       -4.022   2.473  -1.866  0.00  0.00    -0.189 NA
ENDBRANCH   9  19
ENDBRANCH   5   8
BRANCH   1  21
ATOM     21  C   LIG    1        1.404   3.356   0.435  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        6.117  -1.083  -0.303  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        5.699  -0.612  -1.664  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        6.214  -1.046  -2.689  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        4.706   0.334  -1.720  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        4.438   0.638  -2.646  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.095   0.870  -0.582  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        4.490   0.446   0.684  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        3.958   0.914   1.832  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        2.981   1.842   1.702  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        2.502   2.326   0.483  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        3.092   1.826  -0.685  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        5.541  -0.559   0.794  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        6.708  -3.513  -0.551  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        7.213  -2.111  -0.237  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6