REMARK  Name = BDB033796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.261  -2.163  -1.155  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -2.420  -1.125  -0.254  0.00  0.00    +0.230 A 
ATOM      3  N   LIG    1       -1.400  -0.430   0.296  0.00  0.00    -0.179 NA
ATOM      4  C   LIG    1       -0.155  -0.762  -0.070  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.108  -1.738  -0.947  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1       -0.942  -2.409  -1.468  0.00  0.00    +0.130 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.335  -4.175  -2.159  0.00  0.00    +0.050 C 
ATOM      8  C   LIG    1       -3.377  -2.899  -1.756  0.00  0.00    +0.130 C 
ATOM      9  F   LIG    1       -4.552  -2.244  -1.896  0.00  0.00    -0.205 F 
ENDBRANCH   1   8
BRANCH   4  10
ATOM     10  N   LIG    1        0.852  -0.007   0.523  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        0.431   0.666   1.146  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.249  -0.038   0.475  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.985  -0.975  -0.263  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        4.384  -0.947  -0.285  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        5.066   0.039   0.427  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        4.362   0.979   1.179  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        2.965   0.938   1.193  0.00  0.00    +0.025 A 
BRANCH  15  18
ATOM     18  S   LIG    1        6.840   0.065   0.402  0.00  0.00    +0.058 S 
ATOM     19  O   LIG    1        7.302  -1.303   0.318  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        7.295   0.964   1.439  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        7.170   0.770  -1.080  0.00  0.00    -0.193 NA
ATOM     22  H   LIG    1        7.327   0.113  -1.841  0.00  0.00    +0.148 HD
ATOM     23  C   LIG    1        6.691   2.110  -1.378  0.00  0.00    +0.127 C 
ENDBRANCH  18  21
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   4  10
BRANCH   2  24
ATOM     24  O   LIG    1       -3.709  -0.808   0.131  0.00  0.00    -0.470 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.839   0.338   0.968  0.00  0.00    +0.203 C 
ATOM     26  C   LIG    1       -5.273   0.388   1.514  0.00  0.00    +0.155 C 
ATOM     27  C   LIG    1       -5.400   1.824   2.001  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -4.590   2.651   0.996  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -3.737   1.659   0.203  0.00  0.00    +0.047 C 
BRANCH  26  30
ATOM     30  O   LIG    1       -6.232   0.162   0.479  0.00  0.00    -0.388 OA
ATOM     31  H   LIG    1       -5.894  -0.590  -0.045  0.00  0.00    +0.210 HD
ENDBRANCH  26  30
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8