REMARK  Name = BDB005555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.521  -0.082  -0.537  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.764   0.194   0.049  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        3.955  -0.273  -0.532  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.865  -1.036  -1.708  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        5.035  -1.521  -2.309  0.00  0.00    -0.321 N 
ATOM      6  H   LIG    1        4.984  -2.076  -3.154  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        6.302  -1.301  -1.821  0.00  0.00    +0.258 A 
ATOM      8  C   LIG    1        6.428  -0.499  -0.586  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        7.678  -0.228  -0.029  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        7.749   0.534   1.133  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        6.566   0.994   1.687  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1        5.342   0.747   1.165  0.00  0.00    -0.254 NA
ATOM     13  O   LIG    1        7.290  -1.753  -2.390  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.630  -1.329  -2.291  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.282  -0.003   0.032  0.00  0.00    +0.085 A 
ATOM     16  C   LIG    1        1.457  -0.854  -1.704  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        0.266   0.590   1.339  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.292   0.436   0.124  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1       -0.763   0.742  -0.710  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.594   0.805  -1.704  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.978   1.359  -0.199  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.869   0.371   0.580  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.160   0.939   1.018  0.00  0.00    -0.301 NA
ATOM     24  C   LIG    1       -4.843   0.051   1.973  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1       -5.949  -0.791   1.341  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -7.029   0.087   0.714  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -6.484   1.440   0.259  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.006   1.344  -0.116  0.00  0.00    +0.084 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  18
TORSDOF 4