REMARK  Name = BDB053443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.736  -2.166  -0.386  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -1.079  -0.921  -0.067  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -1.624   0.222   0.421  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1       -0.767   1.151   0.730  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        0.465   0.618   0.410  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        1.613   1.289   0.564  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        0.278  -0.765  -0.124  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        1.116  -1.557  -0.506  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.957   0.799   0.254  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.544  -0.224   1.011  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.823  -0.619   0.680  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.541  -1.591   1.305  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.756  -1.571   0.529  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.760  -0.570  -0.510  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.519  -0.036  -0.352  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.977   0.978  -1.111  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.680   1.400  -0.799  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.965   0.401   0.610  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -3.082   1.281   1.114  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.882   0.393  -0.526  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.294   0.023  -0.069  0.00  0.00    +0.046 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.945   1.085   0.807  0.00  0.00    +0.157 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -6.075   2.305   0.091  0.00  0.00    -0.395 OA
ATOM     24  H   LIG    1       -6.814   2.204  -0.533  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 6