REMARK  Name = BDB002959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.728   0.195   0.681  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.118   1.301   0.816  0.00  0.00    +0.168 A 
ATOM      3  C   LIG    1       -1.505   1.185   0.983  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -2.088  -0.082   1.034  0.00  0.00    -0.063 A 
ATOM      5  C   LIG    1       -1.245  -1.199   0.900  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.141  -1.068   0.725  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.441   2.633   0.785  0.00  0.00    +0.060 N 
ATOM      8  O   LIG    1        1.097   3.001   1.772  0.00  0.00    -0.126 OA
ATOM      9  O   LIG    1        0.198   3.329  -0.212  0.00  0.00    -0.126 OA
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1       -3.545  -0.254   1.214  0.00  0.00    -0.087 C 
ATOM     11  C   LIG    1       -4.340   0.785   1.953  0.00  0.00    -0.012 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -4.124  -1.315   0.615  0.00  0.00    +0.427 NA
BRANCH  12  13
ATOM     13  N   LIG    1       -5.586  -1.398   0.741  0.00  0.00    -0.409 N 
ATOM     14  H   LIG    1       -5.929  -1.411   1.693  0.00  0.00    +0.121 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -6.361  -0.723  -0.144  0.00  0.00    +0.155 C 
ATOM     16  N   LIG    1       -5.799  -0.522  -1.368  0.00  0.00    -0.317 N 
ATOM     17  H   LIG    1       -4.795  -0.483  -1.195  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -6.476   0.606  -1.933  0.00  0.00    +0.127 C 
ATOM     19  C   LIG    1       -7.815   0.521  -1.190  0.00  0.00    +0.163 C 
ATOM     20  N   LIG    1       -7.534  -0.196   0.087  0.00  0.00    -0.256 NA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   4  10
BRANCH   1  21
ATOM     21  O   LIG    1        2.063   0.431   0.496  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.928  -0.701   0.415  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.357  -0.183   0.257  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.361  -1.329   0.155  0.00  0.00    +0.003 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.819  -0.860   0.110  0.00  0.00    -0.000 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.960  -0.591  -2.424  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        7.188   0.049  -1.064  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11