REMARK  Name = BDB063901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.102  -0.957  -0.780  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.036  -2.299  -0.708  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.882  -2.833  -0.790  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.191  -2.862  -0.580  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.480  -4.039  -0.497  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.086  -1.673  -0.568  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.413  -1.788  -0.428  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.327  -0.530  -0.702  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.390  -0.689  -0.388  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.521  -0.839   0.433  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.483   0.187   0.460  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.354   1.343  -0.313  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.380   2.265  -0.183  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.266   1.812   0.674  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.226   1.474  -1.145  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.944   0.282   1.370  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.261   0.457  -1.177  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.960  -0.124  -0.925  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.673   0.850  -0.856  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -4.526   0.923  -0.353  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -3.291   0.556  -1.190  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -2.316  -0.391  -0.474  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -2.407  -0.243   1.045  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.808  -0.576   1.560  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -4.920  -0.231   0.569  0.00  0.00    +0.032 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.605   2.042  -0.701  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -5.578   1.239  -1.268  0.00  0.00    -0.380 OA
ENDBRANCH  20  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4