REMARK  Name = BDB060917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.239  -0.295   0.095  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.423  -0.966   0.940  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.047  -0.613   1.048  0.00  0.00    +0.140 A 
ATOM      4  N   LIG    1        0.580   0.432   0.262  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1       -0.779   0.584   0.541  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -1.044  -0.395   1.497  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        1.408   1.129  -0.624  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        0.095  -1.120   1.794  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        2.705   0.795  -0.724  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        9.891  -1.998   0.145  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        8.586  -1.980  -0.554  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        7.354  -1.450  -0.092  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        6.476  -1.703  -1.130  0.00  0.00    +0.168 A 
ATOM     14  C   LIG    1        5.128  -1.355  -1.126  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        4.655  -0.705   0.025  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        5.521  -0.430   1.097  0.00  0.00    +0.009 A 
ATOM     17  O   LIG    1        7.137  -2.337  -2.135  0.00  0.00    -0.354 OA
ATOM     18  C   LIG    1        6.876  -0.798   1.057  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1        8.465  -2.513  -1.778  0.00  0.00    -0.082 NA
ENDBRANCH   1  15
BRANCH   5  20
ATOM     20  N   LIG    1       -1.510   1.548  -0.090  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -1.055   2.277  -0.632  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.964   1.641  -0.064  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -3.460   2.032  -1.470  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -4.812   2.732  -1.409  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.734   4.038  -0.617  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.643   4.036   0.456  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.407   2.639   1.021  0.00  0.00    +0.022 C 
ENDBRANCH  20  22
ENDBRANCH   5  20
BRANCH   6  28
ATOM     28  C   LIG    1       -2.283  -0.746   2.256  0.00  0.00    +0.063 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.874  -2.106   1.867  0.00  0.00    +0.041 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.637  -2.089   0.563  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1       -5.011  -1.814   0.546  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.708  -1.770  -0.663  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.038  -1.999  -1.863  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.672  -2.273  -1.857  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.974  -2.319  -0.649  0.00  0.00    +0.003 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 6