REMARK  Name = BDB062140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.802  -1.007   1.317  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.560  -1.117   1.060  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -1.022  -1.901   2.099  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -2.362  -2.402   2.283  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        0.028  -2.171   2.930  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        1.146  -1.652   2.481  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.384  -0.634  -0.053  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.356   0.395   0.105  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -3.141   0.786  -1.016  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.111   1.805  -0.839  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.306   2.434   0.390  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.532   2.066   1.478  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.921   0.148  -2.264  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -1.950  -0.850  -2.399  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.572   1.065   1.335  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.190  -1.237  -1.303  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.679   0.499  -3.434  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -4.292   0.775  -4.380  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        1.023   1.963   1.250  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        1.889   1.053   0.421  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        1.784  -0.354   0.465  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.657  -1.148  -0.317  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1        2.641  -2.653  -0.243  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.591  -0.524  -1.160  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        3.665   0.870  -1.250  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        2.819   1.646  -0.452  0.00  0.00    +0.010 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.689   1.523  -2.138  0.00  0.00    +0.191 C 
BRANCH  27  28
ATOM     28  O   LIG    1        5.915   1.703  -1.441  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1        5.793   1.370  -0.535  0.00  0.00    +0.210 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 5