REMARK  Name = BDB029892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.871   0.317  -0.474  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.135   0.250  -1.422  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.057  -0.380  -2.226  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.665   0.776   0.649  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.535  -0.595  -0.177  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -3.242  -0.131   0.113  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.214  -0.196  -0.847  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -2.492  -0.732  -2.102  0.00  0.00    +0.171 A 
ATOM      9  F   LIG    1       -1.540  -0.818  -3.043  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -3.771  -1.191  -2.395  0.00  0.00    +0.160 A 
ATOM     11  F   LIG    1       -4.032  -1.705  -3.605  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -4.787  -1.126  -1.449  0.00  0.00    +0.051 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.220   0.051   3.947  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -6.799  -0.259   2.605  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.533  -0.120   2.108  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.615  -0.539   0.796  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.905  -0.923   0.501  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.591  -0.741   1.607  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.561   0.449  -0.890  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.520   0.773   0.091  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.519  -0.962  -0.971  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.545  -1.532   0.357  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.041  -1.725  -2.107  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.127  -0.283  -1.377  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.656   0.778  -0.400  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        4.993   0.182   0.980  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.109   0.963   1.658  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        7.328   0.927   0.917  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        7.182   0.861  -0.500  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        5.888   1.493  -0.992  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6