REMARK  Name = BDB063998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.740  -3.507  -1.192  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.694  -2.318  -0.954  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.462  -1.495  -0.508  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.662  -2.036  -0.264  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.070  -0.177  -0.396  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.195  -0.179  -0.705  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -1.686  -1.398  -1.038  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.610  -1.599  -1.378  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.867  -1.325   0.193  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.194  -0.039  -0.265  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.380   0.564   0.189  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.249  -0.083   1.070  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.379   0.635   1.429  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.362   1.802   0.828  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.920  -1.379   1.509  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.023   2.119  -0.190  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.740  -1.988   1.062  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.953   0.949  -0.743  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.418   1.795  -0.568  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.325   1.100  -0.475  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.096   0.135   0.189  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -5.467   0.328   0.391  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -6.074   1.486  -0.076  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -7.386   1.668   0.117  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.337   2.456  -0.739  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -3.967   2.262  -0.937  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3