REMARK  Name = BDB032072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.295  -1.404  -4.145  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1        1.048  -1.275  -2.725  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1       -0.284  -1.161  -2.307  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1       -1.239  -1.165  -3.078  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -0.416  -1.038  -0.869  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.521  -0.912   0.018  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.991  -0.855   1.299  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        0.377  -0.940   1.206  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1        0.734  -1.049  -0.110  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        2.015  -1.144  -0.538  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        2.108  -1.260  -1.830  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.949  -0.833  -0.241  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1       -3.846  -1.637   0.476  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -5.226  -1.560   0.235  0.00  0.00    +0.094 A 
ATOM     15  C   LIG    1       -5.707  -0.669  -0.729  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1       -4.822   0.133  -1.445  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -3.448   0.052  -1.202  0.00  0.00    +0.012 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -6.109  -2.399   0.986  0.00  0.00    +0.103 C 
ATOM     19  N   LIG    1       -6.857  -3.063   1.574  0.00  0.00    -0.191 NA
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1       -7.032  -0.517  -1.038  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1       -7.587  -1.119  -0.511  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1        1.301  -0.946   2.325  0.00  0.00    +0.219 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.878   0.430   2.594  0.00  0.00    +0.237 C 
ATOM     24  N   LIG    1        2.785   0.853   1.636  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        2.894   0.254   0.814  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        1.556   1.051   3.604  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.521   2.065   1.613  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        4.367   2.328   0.526  0.00  0.00    +0.080 A 
ATOM     29 CL   LIG    1        4.551   1.224  -0.787  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        5.086   3.515   0.509  0.00  0.00    +0.132 A 
ATOM     31  N   LIG    1        5.026   4.449   1.485  0.00  0.00    -0.262 NA
ATOM     32  C   LIG    1        4.208   4.177   2.523  0.00  0.00    +0.112 A 
ATOM     33  C   LIG    1        3.450   3.018   2.631  0.00  0.00    +0.044 A 
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6