REMARK  Name = BDB020939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.190   1.768  -0.824  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -3.340   0.264  -1.074  0.00  0.00    +0.089 C 
ATOM      3  N   LIG    1       -3.434  -0.449   0.226  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1       -2.274  -1.242   0.650  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -0.944  -0.607   0.202  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -0.887  -0.306  -1.230  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        0.275  -0.013  -1.928  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        0.273   0.224  -3.135  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.172  -0.275  -1.936  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -4.708  -0.706   0.712  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1       -5.747  -0.036   0.161  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -7.004  -0.243   0.628  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -7.308  -1.114   1.654  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -6.254  -1.808   2.230  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.953  -1.599   1.758  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.653  -1.286   2.096  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       -9.746  -1.429   2.457  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   3  10
BRANCH   7  18
ATOM     18  C   LIG    1        1.561   0.015  -1.121  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.761   0.404  -1.980  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.955   0.640  -1.093  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.189   1.940  -0.734  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        3.613   2.692  -1.087  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        5.223   2.320   0.083  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        5.415   3.491   0.386  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.080   1.228   0.573  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        5.762  -0.071   0.164  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        6.559  -1.125   0.613  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        7.651  -0.883   1.453  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.955   0.419   1.853  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.168   1.483   1.413  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        4.672  -0.353  -0.679  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   7  18
TORSDOF 5