REMARK  Name = BDB046072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.234  -0.081   0.237  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        3.458   0.239  -0.348  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        3.662   1.151  -1.466  0.00  0.00    +0.273 A 
ATOM      4  N   LIG    1        4.939   1.228  -1.991  0.00  0.00    -0.263 N 
ATOM      5  H   LIG    1        4.939   1.858  -2.790  0.00  0.00    +0.190 HD
ATOM      6  N   LIG    1        6.059   1.411  -1.138  0.00  0.00    -0.263 N 
ATOM      7  H   LIG    1        6.767   2.019  -1.547  0.00  0.00    +0.190 HD
ATOM      8  C   LIG    1        6.673   0.318  -0.559  0.00  0.00    +0.271 A 
ATOM      9  C   LIG    1        5.864  -0.650   0.215  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        6.536  -1.632   0.969  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        5.840  -2.483   1.822  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        4.457  -2.370   1.967  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.801  -1.397   1.204  0.00  0.00    +0.048 A 
ATOM     14  O   LIG    1        7.899   0.230  -0.590  0.00  0.00    -0.266 OA
ATOM     15  O   LIG    1        2.760   1.766  -2.032  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        4.459  -0.552   0.309  0.00  0.00    +0.025 A 
ATOM     17  N   LIG    1        2.471  -1.067   1.165  0.00  0.00    -0.354 N 
ATOM     18  H   LIG    1        1.751  -1.515   1.714  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1       -1.785   1.230  -0.434  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1       -1.073   0.570  -1.446  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.243   0.151  -1.232  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        0.870   0.385  -0.005  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1        0.162   1.040   1.008  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -1.155   1.460   0.796  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -3.208   1.679  -0.667  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.178   0.583  -0.650  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1       -3.842  -0.170  -1.249  0.00  0.00    +0.122 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.436   0.070   0.692  0.00  0.00    +0.081 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.502  -1.032   0.684  0.00  0.00    +0.015 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -7.255  -0.054  -0.923  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -6.942  -0.550   0.479  0.00  0.00    -0.002 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 6