REMARK  Name = BDB062845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.598   0.594  -2.244  0.00  0.00    +0.171 A 
ATOM      2  C   LIG    1       -5.748   0.619  -0.739  0.00  0.00    +0.282 A 
ATOM      3  O   LIG    1       -6.872   0.824  -0.295  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -4.594   0.436   0.015  0.00  0.00    -0.287 N 
ATOM      5  C   LIG    1       -3.344   0.250  -0.638  0.00  0.00    +0.167 A 
ATOM      6  C   LIG    1       -3.321   0.279  -2.025  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -2.074   0.100  -2.578  0.00  0.00    +0.145 A 
ATOM      8  N   LIG    1       -0.948  -0.085  -1.861  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -1.061  -0.101  -0.528  0.00  0.00    +0.221 A 
ATOM     10  N   LIG    1       -2.234   0.064   0.107  0.00  0.00    -0.195 NA
ATOM     11  N   LIG    1       -4.448   0.460  -2.841  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.649   0.411   1.481  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1       -5.459  -0.771   2.038  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -6.048  -0.240   3.336  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -6.419   1.191   2.985  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -5.265   1.677   2.113  0.00  0.00    +0.025 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     17  C   LIG    1       -7.277   2.153  -3.352  0.00  0.00    +0.093 C 
ATOM     18  C   LIG    1       -6.809   0.748  -3.128  0.00  0.00    +0.183 C 
ATOM     19  O   LIG    1       -7.328  -0.248  -3.612  0.00  0.00    -0.291 OA
ENDBRANCH   1  18
BRANCH   9  20
ATOM     20  N   LIG    1        0.036  -0.283   0.307  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -0.271  -0.270   1.268  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.396  -0.517   0.088  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        1.980  -0.630  -1.172  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.358  -0.854  -1.317  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.213  -0.973  -0.213  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        3.624  -0.857   1.049  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        2.246  -0.631   1.196  0.00  0.00    +0.025 A 
BRANCH  25  28
ATOM     28  N   LIG    1        5.579  -1.192  -0.419  0.00  0.00    -0.327 N 
ATOM     29  C   LIG    1        6.409  -1.778   0.653  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        7.329  -0.719   1.298  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        8.248  -0.037   0.358  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1        9.617  -0.533   0.478  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        7.775  -0.158  -1.041  0.00  0.00    +0.103 C 
ATOM     34  C   LIG    1        6.236  -0.098  -1.179  0.00  0.00    +0.120 C 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   9  20
TORSDOF 5