REMARK  Name = BDB020948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.241  -2.113   2.206  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.085  -1.184   1.414  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.164  -0.657   1.132  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -2.354  -1.244   1.754  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -3.554  -1.331   0.791  0.00  0.00    +0.125 C 
ATOM      6  N   LIG    1       -3.813  -0.061   0.086  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1       -2.841   1.022   0.298  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1       -1.405   0.472   0.222  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.141   0.344  -0.047  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1       -5.448   1.649   0.129  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -6.735   2.038  -0.016  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1       -7.768   1.183  -0.346  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -7.457  -0.152  -0.545  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -6.135  -0.571  -0.399  0.00  0.00    +0.043 A 
ENDBRANCH   6   9
BRANCH   2  15
ATOM     15  C   LIG    1        1.267  -0.540   0.712  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.559  -1.314   0.953  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.720  -0.546   0.379  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        4.359   0.306   1.238  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        4.085   0.372   2.209  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1        5.422   1.090   0.868  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1        5.985   1.839   1.657  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.838   0.972  -0.540  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        5.122   0.085  -1.349  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1        5.496  -0.046  -2.687  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.563   0.695  -3.204  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.268   1.576  -2.383  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.907   1.718  -1.044  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1        4.042  -0.676  -0.867  0.00  0.00    -0.234 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 4