REMARK  Name = BDB017672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.083  -0.794  -1.214  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.838   0.324  -1.591  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.138   0.494  -1.105  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.729  -0.452  -0.254  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -5.119  -0.221   0.209  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -5.757  -1.193   0.977  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -5.435  -2.135   0.777  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -7.194  -1.124   1.223  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.594   0.322   1.489  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -7.146   1.230   0.339  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.749   0.922  -0.131  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -5.103   1.931  -1.014  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.675   2.967  -1.341  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.959  -1.558   0.133  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.847   1.643  -1.465  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -3.422   2.341  -2.060  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.655  -1.731  -0.345  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.325  -0.983  -1.741  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        3.852  -0.209  -0.042  0.00  0.00    -0.311 N 
ATOM     20  C   LIG    1        3.638  -0.719  -1.406  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        2.504   0.038  -2.138  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.219   0.138  -1.416  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        1.434   0.254   0.049  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        2.843   0.744   0.453  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     25  C   LIG    1        9.104   0.878   1.747  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1        7.734   0.551   1.248  0.00  0.00    +0.061 A 
ATOM     27  N   LIG    1        6.737   1.403   1.541  0.00  0.00    -0.153 NA
ATOM     28  N   LIG    1        5.453   1.137   1.106  0.00  0.00    -0.134 NA
ATOM     29  C   LIG    1        5.162   0.043   0.370  0.00  0.00    +0.144 A 
ATOM     30  C   LIG    1        6.189  -0.850   0.080  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1        7.489  -0.597   0.517  0.00  0.00    +0.028 A 
ENDBRANCH  19  29
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3