REMARK  Name = BDB063270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.738   1.121   0.522  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -0.202   0.487  -0.771  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -0.581  -0.921  -0.974  0.00  0.00    -0.293 NA
ATOM      4  C   LIG    1        0.059  -1.820   0.003  0.00  0.00    +0.104 C 
ATOM      5  C   LIG    1        1.398  -1.353   0.628  0.00  0.00    +0.122 C 
ATOM      6  N   LIG    1        2.122  -0.393  -0.205  0.00  0.00    -0.307 N 
ATOM      7  C   LIG    1        1.344   0.653  -0.885  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.461  -0.238   0.018  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        4.456   0.866  -0.875  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        5.841   0.380   0.013  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.464  -0.595   0.931  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        6.447  -1.144   1.778  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.774  -0.706   1.683  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        8.145   0.269   0.750  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        7.169   0.830  -0.095  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1        4.125  -0.933   0.919  0.00  0.00    -0.225 NA
BRANCH  14  17
ATOM     17  C   LIG    1        9.576   0.749   0.672  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       10.479  -0.192   1.062  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        9.946   1.119  -0.586  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.799   1.834   1.462  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   6   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.019  -1.200  -1.114  0.00  0.00    +0.125 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.684  -0.538  -2.339  0.00  0.00    +0.244 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.050   0.825  -2.115  0.00  0.00    -0.489 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.165   1.117  -1.377  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1       -4.335   2.459  -1.003  0.00  0.00    +0.083 A 
ATOM     26 CL   LIG    1       -3.187   3.674  -1.454  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -5.434   2.854  -0.236  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -6.379   1.911   0.167  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -6.236   0.568  -0.200  0.00  0.00    -0.033 A 
ATOM     30  C   LIG    1       -5.129   0.184  -0.979  0.00  0.00    +0.051 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -7.263  -0.457   0.229  0.00  0.00    +0.155 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -6.741  -1.491   1.198  0.00  0.00    +0.309 C 
ATOM     33  O   LIG    1       -5.581  -1.761   1.460  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -7.743  -2.190   1.775  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -7.283  -2.826   2.363  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 9