REMARK  Name = BDB005942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.255   2.490   0.415  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.876   2.228   0.550  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -2.085   3.149   1.134  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -0.756   2.946   1.171  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.155   1.789   0.721  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.943   0.756   0.249  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -0.288  -0.503   0.031  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.111  -0.587  -0.146  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        1.614  -1.669  -0.456  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        1.850   0.586   0.062  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.298   1.675   0.739  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        1.921   2.533   1.362  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -2.337   1.016   0.041  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -3.209   0.191  -0.712  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.566   0.469  -0.854  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.095   1.608  -0.269  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.280   0.621  -0.193  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        4.103  -0.516  -0.129  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.479  -0.456  -0.413  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1        6.328  -1.688  -0.293  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.056   0.770  -0.747  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        5.267   1.913  -0.815  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.897   1.836  -0.544  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1       -1.011  -1.765   0.327  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1       -0.417  -2.552   1.524  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -0.092  -3.945   0.995  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -1.056  -4.137  -0.162  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -1.082  -2.773  -0.836  0.00  0.00    +0.025 C 
ENDBRANCH   7  24
BRANCH   1  30
ATOM     29  C   LIG    1       -6.075   3.986   0.882  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.695   3.668   0.982  0.00  0.00    -0.493 OA
ENDBRANCH   1  30
TORSDOF 3