REMARK  Name = BDB065021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.047   0.795  -0.267  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -1.677   0.498  -1.458  0.00  0.00    +0.136 A 
ATOM      3  C   LIG    1       -3.004   0.305  -1.155  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1       -3.223   0.475   0.171  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -2.047   0.765   0.682  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.077   1.607   0.344  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        2.595   1.334  -0.940  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        1.234   1.064  -1.141  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.337   1.071  -0.061  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        0.824   1.360   1.222  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        2.183   1.631   1.419  0.00  0.00    +0.015 A 
BRANCH   6  14
ATOM     12  N   LIG    1        5.426   1.335  -0.251  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1        5.124   0.623  -0.901  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        4.511   1.908   0.607  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        4.824   2.604   1.566  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        6.854   1.500  -0.060  0.00  0.00    +0.105 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.422   0.607   1.045  0.00  0.00    +0.031 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.214  -0.890   0.813  0.00  0.00    +0.090 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.492  -1.778  -1.358  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        7.918  -1.375  -0.383  0.00  0.00    -0.106 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  N   LIG    1       -3.970  -0.004  -2.072  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1       -3.690  -0.031  -3.044  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1       -5.306  -0.200  -1.890  0.00  0.00    +0.223 C 
ATOM     24  O   LIG    1       -5.996  -0.354  -2.903  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.920  -0.245  -0.502  0.00  0.00    +0.095 C 
ATOM     26  C   LIG    1       -5.555  -1.533   0.234  0.00  0.00    +0.129 C 
ATOM     27  N   LIG    1       -6.710  -1.823   1.139  0.00  0.00    -0.269 N 
ATOM     28  C   LIG    1       -7.788  -0.848   0.848  0.00  0.00    +0.117 C 
ATOM     29  C   LIG    1       -7.446  -0.312  -0.531  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.614  -2.522   2.276  0.00  0.00    +0.169 C 
ATOM     31  N   LIG    1       -6.527  -3.120   3.264  0.00  0.00    -0.174 NA
ENDBRANCH  27  30
ENDBRANCH  23  25
ENDBRANCH   3  21
TORSDOF 9