REMARK  Name = BDB063274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.005   1.153   1.833  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1       -0.338   1.927   0.767  0.00  0.00    +0.071 C 
ATOM      3  C   LIG    1        0.394   3.096   1.441  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1        0.649   1.112  -0.121  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1        1.556   0.288   0.684  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        0.993  -0.356   1.873  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -0.548  -0.238   1.911  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        2.801   0.007   0.210  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        3.984  -0.885   1.109  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        5.117  -0.725  -0.170  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        4.527  -0.001  -1.202  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        5.278   0.253  -2.366  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        6.592  -0.219  -2.466  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        7.180  -0.939  -1.419  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        6.435  -1.206  -0.255  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1        3.227   0.404  -0.971  0.00  0.00    -0.225 NA
BRANCH  14  17
ATOM     17  C   LIG    1        8.591  -1.463  -1.549  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        9.376  -0.694  -2.354  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        8.629  -2.717  -2.076  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.244  -1.538  -0.356  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   5   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.457   1.332   1.927  0.00  0.00    +0.120 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -4.873   1.808  -2.485  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.445   0.956  -1.326  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1       -3.669   1.502  -0.297  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.291   0.732   0.813  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -3.727  -0.600   0.886  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -4.513  -1.164  -0.130  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -4.873  -0.373  -1.229  0.00  0.00    +0.007 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.971  -2.599  -0.033  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.093  -2.841   0.957  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -6.567  -2.023   1.729  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.534  -4.126   0.926  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -6.079  -4.691   0.275  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 7