REMARK  Name = BDB011617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.217  -0.097   0.960  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.227   0.829   0.772  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.908   1.716   0.401  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.302  -1.136   1.601  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.539   0.717   1.141  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.296  -0.534   1.475  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.915  -1.680   1.302  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.580  -0.136   1.890  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.708   1.263   1.629  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.494   2.015   2.607  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.445   1.709   1.219  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.205   3.163   0.945  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.720  -1.033   1.674  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.555  -1.225   2.955  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        8.012  -1.613   2.676  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        8.141  -2.454   1.412  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        7.655  -1.699   0.173  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        6.589  -0.640   0.472  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -2.546  -1.735   0.874  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.286  -0.394   0.284  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -3.154   0.433  -0.423  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1       -2.465   1.588  -0.707  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1       -1.173   1.523  -0.242  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.054   0.324   0.346  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.530   0.268  -0.795  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1       -5.556   1.343  -0.533  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1       -7.004   0.852  -0.569  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -7.336  -0.134  -1.703  0.00  0.00    -0.004 C 
ATOM     29  C   LIG    1       -6.279  -1.247  -1.813  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1       -4.886  -0.886  -1.389  0.00  0.00    -0.019 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -7.707   0.553  -3.048  0.00  0.00    -0.014 C 
ATOM     32  C   LIG    1       -8.373  -0.433  -4.017  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -6.564   1.264  -3.768  0.00  0.00    +0.007 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5