REMARK  Name = BDB020941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.967  -3.866   1.689  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -1.278  -2.390   1.923  0.00  0.00    +0.090 C 
ATOM      3  N   LIG    1       -0.360  -1.654   2.820  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.029  -1.567   2.742  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1        1.659  -0.842   3.517  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.996  -0.409   3.267  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1       -1.240   0.506   2.043  0.00  0.00    +0.125 C 
ATOM      8  N   LIG    1       -2.002  -0.197   0.967  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -1.512  -1.568   0.635  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.163   0.589  -0.196  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -1.829   0.071  -1.401  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -1.963   0.842  -2.507  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -2.442   2.138  -2.489  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -2.825   2.663  -1.262  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -2.691   1.881  -0.112  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -2.529   2.901  -3.691  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       -2.586   3.529  -4.665  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.778  -2.392   1.712  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.035  -1.667   1.224  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.651  -0.688   0.135  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        2.610  -1.194  -1.138  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.862  -2.152  -1.331  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        2.239  -0.452  -2.231  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        2.201  -0.930  -3.358  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        1.893   0.953  -1.959  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        1.953   1.381  -0.631  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        1.625   2.708  -0.345  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        1.252   3.586  -1.368  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        1.206   3.145  -2.691  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        1.527   1.822  -2.992  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        2.335   0.532   0.422  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5