REMARK  Name = BDB033777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182  -0.816  -0.249  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.438  -0.394  -0.049  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.404  -1.327   0.035  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -2.175  -2.673  -0.076  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.864  -3.013  -0.283  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.134  -2.112  -0.370  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.258  -3.678   0.012  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -2.796  -4.961   0.010  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -4.004  -3.565   1.147  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -4.136  -3.606  -1.025  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.774   0.192  -0.320  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.320   1.085  -0.197  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.938   0.391  -0.944  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.199   1.550  -0.718  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.818   1.453  -0.514  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.155   0.212  -0.539  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.925  -0.934  -0.777  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.307  -0.852  -0.984  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        6.686   0.489  -1.222  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1        7.019  -0.461  -2.260  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.073   1.879  -1.306  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1        7.438   0.741   1.359  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1        7.305  -0.139   0.207  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1        8.012  -0.855   0.051  0.00  0.00    +0.148 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -3.711  -0.924   0.220  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.903   0.479   0.485  0.00  0.00    +0.208 C 
ATOM     27  C   LIG    1       -5.249   0.619   1.210  0.00  0.00    +0.181 C 
ATOM     28  C   LIG    1       -5.555   2.098   1.475  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -4.955   2.988   0.527  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -4.908   2.439  -0.783  0.00  0.00    +0.163 C 
ATOM     31  C   LIG    1       -3.925   1.276  -0.827  0.00  0.00    +0.075 C 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.253  -0.110   2.440  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -4.972  -1.019   2.225  0.00  0.00    +0.210 HD
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8