REMARK  Name = BDB015473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.936  -0.446  -0.743  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.009   0.610   0.068  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.147   0.601   1.094  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.762  -0.355   1.336  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.804  -1.393   0.477  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.045  -1.483  -0.605  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.824  -2.440   0.744  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.013  -2.064   1.252  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.023  -2.971   1.529  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.279  -2.463   2.057  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.889  -4.337   1.292  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.772  -5.167   1.497  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.560  -4.777   0.757  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.377  -6.245   0.539  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.610  -3.860   0.513  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.837  -0.395  -1.834  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.266  -1.289  -2.068  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.214   0.281  -3.244  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        1.640  -0.627  -4.290  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -0.185   0.603  -3.077  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.168   1.784  -3.425  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        2.668   4.099  -2.594  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        1.968   2.782  -2.295  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.130   1.657   1.995  0.00  0.00    -0.418 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.167   2.546   1.897  0.00  0.00    +0.202 A 
ATOM     26  C   LIG    1        2.445   2.221   2.344  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1        2.696   1.007   2.857  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        3.482   3.150   2.271  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        3.236   4.425   1.759  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        1.952   4.763   1.327  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        0.926   3.823   1.404  0.00  0.00    +0.168 A 
ATOM     32  F   LIG    1       -0.301   4.166   0.989  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7