REMARK  Name = BDB022981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.805  -1.472   1.655  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.704  -2.260   0.343  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.985  -1.399  -0.831  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.208  -1.328  -1.493  0.00  0.00    +0.221 C 
ATOM      5  O   LIG    1       -2.218  -1.240  -2.729  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.166  -0.999  -1.669  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.493  -0.970  -0.949  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.748  -1.966  -0.030  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.998  -1.952   0.534  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.925  -1.024   0.238  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.595  -0.093  -0.669  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.401  -0.028  -1.275  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.679  -2.963   0.264  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.549  -1.214  -0.769  0.00  0.00    +0.098 C 
ATOM     15  C   LIG    1       -3.690   0.080   0.054  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1       -4.621  -0.317   1.221  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.129  -1.651   0.865  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -5.601  -2.400   2.019  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.026  -2.314   0.160  0.00  0.00    +0.097 C 
BRANCH  15  20
ATOM     20  C   LIG    1       -4.185   1.252  -0.774  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -3.295   2.276  -1.129  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.724   3.358  -1.901  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.046   3.427  -2.333  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.939   2.412  -1.998  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.511   1.330  -1.228  0.00  0.00    +0.004 A 
ENDBRANCH  15  20
ENDBRANCH   4  14
BRANCH  11  26
ATOM     26  N   LIG    1        4.498   0.890  -1.041  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        3.943   1.610  -1.492  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.433   1.336  -0.015  0.00  0.00    +0.077 C 
ATOM     29  C   LIG    1        5.755   2.819  -0.234  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1        6.832   3.271   0.742  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1        8.004   2.471   0.607  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1        7.757   1.093   0.882  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1        6.729   0.522  -0.083  0.00  0.00    +0.050 C 
ENDBRANCH  26  28
ENDBRANCH  11  26
TORSDOF 4