REMARK  Name = BDB033797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.366  -0.472   0.309  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.766   0.115   0.719  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.794  -0.689   1.056  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -1.730  -2.056   1.058  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.530  -2.566   0.634  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.516  -1.803   0.257  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.858  -2.913   1.483  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -4.016  -2.668   0.808  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.611  -4.243   1.298  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.158  -2.787   2.805  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.387   0.404  -0.047  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        1.052   1.350   0.063  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        5.317   0.050  -1.530  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.566  -1.106  -1.321  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.260  -1.004  -0.829  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.681   0.240  -0.551  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.459   1.390  -0.778  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.766   1.303  -1.270  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        6.956  -0.074  -2.180  0.00  0.00    +0.056 S 
ATOM     20  O   LIG    1        7.095  -1.322  -2.893  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.337   1.194  -2.757  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        7.873  -0.235  -0.783  0.00  0.00    -0.204 NA
ATOM     23  H   LIG    1        8.509   0.557  -0.692  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        8.339  -1.143  -0.778  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -2.934  -0.090   1.542  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.411   0.949   0.684  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -4.383   0.405  -0.370  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -5.176   1.635  -0.793  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -5.205   2.549   0.433  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -4.317   1.883   1.480  0.00  0.00    +0.047 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -3.702  -0.176  -1.471  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -4.376  -0.449  -2.118  0.00  0.00    +0.210 HD
ENDBRANCH  27  31
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8