REMARK  Name = BDB033063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.628  -1.216  -0.438  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.222  -0.667  -0.700  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.646  -1.724  -0.236  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.005  -2.568   0.653  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        0.507  -3.484   1.283  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -1.430  -2.125   0.775  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.320   0.771  -2.245  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.966   0.706  -1.203  0.00  0.00    +0.263 C 
ATOM      9  N   LIG    1       -2.649  -0.206  -0.206  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1       -3.388  -0.432   0.447  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -4.134   1.560  -0.933  0.00  0.00    +0.132 A 
ATOM     12  N   LIG    1       -4.807   2.199  -1.976  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1       -5.803   2.914  -1.508  0.00  0.00    +0.156 A 
ATOM     14  S   LIG    1       -6.017   2.883   0.190  0.00  0.00    -0.083 S 
ATOM     15  C   LIG    1       -4.663   1.836   0.320  0.00  0.00    +0.079 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.083  -1.706  -0.441  0.00  0.00    +0.143 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.781  -0.689   0.443  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        3.332   0.514  -0.057  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        3.949   1.408   0.841  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        4.025   1.124   2.204  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.489  -0.061   2.694  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.874  -0.959   1.823  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1        3.292   0.864  -1.528  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1        3.952  -0.047  -2.297  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        2.025   0.924  -2.018  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        3.857   2.069  -1.821  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5