REMARK  Name = BDB061997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.919  -0.187  -0.404  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.979  -0.096  -1.440  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.337  -0.550  -1.262  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.734  -1.101  -0.046  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.195  -1.200   0.989  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.506  -0.746   0.813  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.667   0.940   0.414  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -5.383   0.755  -0.130  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -5.159   1.143  -1.448  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -3.840   0.841  -1.675  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -3.346   1.006  -2.537  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -3.307   0.274  -0.541  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -6.141   1.709  -2.267  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -7.411   1.882  -1.707  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -4.236   0.206   0.396  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -7.676   1.506  -0.388  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -8.122  -0.114   2.023  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -8.238  -0.495   2.953  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -8.592  -0.586   1.263  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -6.950   0.566   1.812  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -6.210   0.845   2.744  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  O   LIG    1        1.978  -1.583   0.254  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.008  -1.371  -0.708  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.329  -1.904  -0.150  0.00  0.00    +0.041 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.731  -1.328   1.213  0.00  0.00    +0.004 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.840   0.200   1.291  0.00  0.00    +0.009 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.825   0.831   0.308  0.00  0.00    +0.098 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.277   0.513   0.607  0.00  0.00    +0.235 C 
ATOM     29  N   LIG    1        8.140   0.954  -0.374  0.00  0.00    -0.197 N 
ATOM     30  H   LIG    1        7.909   1.750  -0.958  0.00  0.00    +0.182 HD
ATOM     31  O   LIG    1        7.679  -0.065   1.612  0.00  0.00    -0.274 OA
BRANCH  29  32
ATOM     32  O   LIG    1        9.514   0.805  -0.059  0.00  0.00    -0.295 OA
ATOM     33  H   LIG    1        9.483   0.351   0.814  0.00  0.00    +0.241 HD
ENDBRANCH  29  32
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10