REMARK  Name = BDB003716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.661  -1.518   2.247  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -1.040  -0.272   1.818  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1        0.329  -0.263   1.587  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1        1.040  -1.248   1.817  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.983   1.043   1.106  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  N   LIG    1        2.299   0.746   0.563  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1        2.891   0.196   1.172  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1        2.446   0.511  -0.795  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.529   0.759  -1.578  0.00  0.00    -0.270 OA
BRANCH   8  10
ATOM     10  C   LIG    1        3.735  -0.047  -1.187  0.00  0.00    +0.074 A 
ATOM     11  S   LIG    1        3.934  -0.632  -2.791  0.00  0.00    -0.092 S 
ATOM     12  C   LIG    1        5.555  -1.088  -2.504  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        5.953  -0.795  -1.221  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.907  -0.192  -0.462  0.00  0.00    +0.021 A 
ENDBRANCH   8  10
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -1.948   0.836   1.514  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.792   0.598   0.282  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -4.194   0.622   0.376  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.984   0.414  -0.757  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -4.377   0.186  -1.985  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1       -5.138  -0.012  -3.070  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -2.994   0.163  -2.103  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -2.201   0.370  -0.972  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5