REMARK  Name = BDB032121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.817  -0.271  -0.348  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -0.610   1.105  -0.297  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1        0.576   1.698  -0.027  0.00  0.00    -0.238 NA
ATOM      4  C   LIG    1        1.635   0.904   0.197  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        1.531  -0.483   0.158  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        0.291  -1.073  -0.109  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.520  -2.074  -0.682  0.00  0.00    +0.222 C 
ATOM      8  N   LIG    1       -2.107  -0.753  -0.660  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.789  -0.044  -0.900  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.845  -3.041  -0.339  0.00  0.00    -0.275 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -7.421  -2.052   0.199  0.00  0.00    +0.239 C 
ATOM     12  N   LIG    1       -6.343  -1.827  -0.643  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -4.954  -1.651  -0.202  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -3.951  -2.281  -1.171  0.00  0.00    +0.093 C 
ATOM     15  C   LIG    1       -4.135  -1.814  -2.625  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1       -5.507  -1.195  -2.882  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -6.590  -1.901  -2.080  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1       -8.530  -2.403  -0.198  0.00  0.00    -0.271 OA
BRANCH  11  20
ATOM     19  C   LIG    1       -6.862  -0.715   2.198  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -7.219  -1.886   1.657  0.00  0.00    +0.060 C 
ENDBRANCH  11  20
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  N   LIG    1        2.893   1.447   0.461  0.00  0.00    -0.265 N 
ATOM     22  H   LIG    1        3.679   0.816   0.563  0.00  0.00    +0.157 HD
ATOM     23  C   LIG    1        3.182   2.785   0.636  0.00  0.00    +0.268 C 
ATOM     24  O   LIG    1        2.405   3.730   0.644  0.00  0.00    -0.268 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.644   3.030   0.871  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1        5.469   1.951   0.719  0.00  0.00    -0.241 NA
ATOM     27  C   LIG    1        6.787   2.167   0.948  0.00  0.00    +0.089 A 
ATOM     28  C   LIG    1        7.306   3.401   1.333  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        6.437   4.479   1.480  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.081   4.298   1.236  0.00  0.00    +0.033 A 
BRANCH  27  31
ATOM     31  C   LIG    1        7.629   1.000   0.747  0.00  0.00    +0.084 A 
ATOM     32  N   LIG    1        7.195  -0.101   0.053  0.00  0.00    -0.275 N 
ATOM     33  H   LIG    1        6.287  -0.225  -0.381  0.00  0.00    +0.189 HD
ATOM     34  N   LIG    1        8.105  -1.085  -0.050  0.00  0.00    -0.182 NA
ATOM     35  C   LIG    1        9.162  -0.596   0.602  0.00  0.00    +0.135 A 
ATOM     36  C   LIG    1        8.928   0.695   1.110  0.00  0.00    +0.050 A 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 6