REMARK  Name = BDB036902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.171   0.665  -2.269  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        0.298  -0.526  -1.422  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.348  -0.528  -0.375  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        2.748  -0.657  -0.984  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        2.979  -1.038  -2.128  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        3.791  -0.314  -0.151  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        4.713  -0.394  -0.561  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.722   0.422   1.004  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.734   0.868   1.535  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.346   0.619   1.595  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        1.294   0.723   0.500  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1       -1.035  -1.545  -1.249  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1       -1.780  -1.556  -2.489  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -0.590  -2.773  -0.625  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -2.032  -0.683  -0.054  0.00  0.00    +0.108 A 
ATOM     16  C   LIG    1       -1.947  -1.032   1.296  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1       -2.746  -0.361   2.211  0.00  0.00    +0.125 A 
ATOM     18  F   LIG    1       -2.659  -0.672   3.511  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.633   0.632   1.804  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -3.734   0.959   0.451  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.937   0.296  -0.484  0.00  0.00    +0.029 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3