REMARK  Name = BDB020920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.132  -0.202  -0.962  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.316   0.788  -0.222  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.167   0.377  -0.185  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.370  -0.960   0.396  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.567  -1.421   0.919  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        2.678  -2.549   1.401  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.213  -1.862   0.361  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -0.693  -1.611  -0.856  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -5.274   0.634  -0.636  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -4.512   1.246  -1.634  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -3.148   0.961  -1.748  0.00  0.00    +0.063 A 
ATOM     12 CL   LIG    1       -2.279   1.728  -3.037  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -2.510   0.062  -0.863  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -3.293  -0.521   0.147  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -4.660  -0.241   0.264  0.00  0.00    +0.015 A 
BRANCH   9  18
ATOM     16  N   LIG    1       -7.547  -0.037  -0.081  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -7.171  -0.966   0.061  0.00  0.00    +0.150 HD
ATOM     18  C   LIG    1       -6.720   0.968  -0.548  0.00  0.00    +0.245 C 
ATOM     19  O   LIG    1       -7.108   2.075  -0.904  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -9.427   0.933   1.221  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -8.975   0.121   0.031  0.00  0.00    +0.032 C 
ATOM     22  C   LIG    1       -9.807   0.198  -1.229  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -9.852  -1.040  -0.387  0.00  0.00    +0.027 C 
ENDBRANCH  16  21
ENDBRANCH   9  18
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1        3.745  -0.465   0.865  0.00  0.00    +0.103 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.026  -1.111   1.387  0.00  0.00    +0.083 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.235  -0.261   1.039  0.00  0.00    +0.112 A 
ATOM     27  N   LIG    1        7.253  -0.866   0.348  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        7.239  -1.860   0.163  0.00  0.00    +0.167 HD
ATOM     29  C   LIG    1        8.415  -0.148   0.068  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        8.485   1.198   0.438  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1        9.619   1.965   0.154  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1       10.695   1.380  -0.512  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       10.630   0.038  -0.894  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        7.309   1.778   1.139  0.00  0.00    +0.281 A 
ATOM     35  O   LIG    1        7.339   2.967   1.441  0.00  0.00    -0.265 OA
ATOM     36  C   LIG    1        9.493  -0.723  -0.609  0.00  0.00    +0.026 A 
ATOM     37  N   LIG    1        6.225   0.976   1.429  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6