REMARK  Name = BDB051629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.122   0.205  -0.793  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1        0.324   0.015  -1.929  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.001   0.467  -1.935  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.544   1.100  -0.811  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.744   1.305   0.318  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.581   0.855   0.328  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.598  -0.697   0.902  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        4.428  -0.594   0.119  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1        4.416  -1.134  -1.217  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        3.177  -0.900  -1.741  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        2.475  -0.245  -0.752  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1        5.452  -1.779  -1.883  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        6.603  -1.868  -1.075  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        3.230  -0.034   0.356  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1        6.679  -1.354   0.256  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1        6.900   0.319   2.662  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        6.910   0.784   3.562  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        7.591   0.606   1.984  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        5.686  -0.190   2.281  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        4.748  -0.213   3.065  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -2.960   1.559  -0.871  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1       -3.631   1.629   0.331  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -3.229   1.175   1.139  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -3.475   1.819  -1.953  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -5.043   1.934   0.388  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.863   0.674   0.457  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1       -6.155  -0.045  -0.705  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -6.894  -1.212  -0.598  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1       -7.351  -1.707   0.572  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -7.052  -1.003   1.684  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -6.319   0.175   1.680  0.00  0.00    +0.025 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   4  21
TORSDOF 5