REMARK  Name = BDB063999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.671  -0.462   0.745  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        0.944  -0.132   2.032  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        1.847  -0.122   2.471  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.220   0.076   2.696  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.388   0.364   3.863  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.235  -0.154   1.632  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -2.545  -0.009   1.864  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.599  -0.501   0.459  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.632  -0.196   0.890  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.755   0.644   0.980  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.818   0.459   0.079  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.797  -0.543  -0.893  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.915  -0.605  -1.710  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.764   0.334  -1.359  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.675  -1.390  -0.963  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.296   1.337  -0.054  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.610  -1.212  -0.070  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        1.643  -0.776  -0.154  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        1.273  -1.102  -1.042  0.00  0.00    +0.155 HD
BRANCH  18  25
ATOM     20  C   LIG    1        7.082   1.000  -0.568  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        5.665   0.531  -0.446  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        4.743   1.255   0.310  0.00  0.00    +0.128 A 
ATOM     23  F   LIG    1        5.134   2.366   0.950  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        3.411   0.855   0.419  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        2.958  -0.285  -0.248  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        3.882  -1.009  -1.019  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        5.219  -0.605  -1.125  0.00  0.00    +0.008 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 3