REMARK  Name = BDB059348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.802   2.009  -0.327  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -0.754   0.760  -0.904  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.124   0.263  -1.049  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.741   2.780  -0.514  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.328   1.847   1.849  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1        1.258   1.439   1.039  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.357   2.385   0.523  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        0.520   3.740   0.841  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.575   4.152   1.656  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.473   3.210   2.157  0.00  0.00    +0.003 A 
BRANCH   5  11
ATOM     11  C   LIG    1        3.296   0.833   2.420  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     12  C   LIG    1        1.677  -0.292   4.050  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        2.997   0.461   3.874  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  N   LIG    1       -1.863   0.408  -1.875  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1       -2.450   1.217  -2.132  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -1.378  -0.483  -3.240  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        0.063  -0.631  -3.202  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -2.041   0.098  -4.386  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.115  -2.055  -2.925  0.00  0.00    +0.142 A 
ATOM     20  C   LIG    1       -1.583  -2.861  -1.921  0.00  0.00    +0.150 A 
ATOM     21  F   LIG    1       -0.568  -2.444  -1.152  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -2.129  -4.123  -1.677  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -3.200  -4.581  -2.450  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -3.727  -3.783  -3.465  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.184  -2.510  -3.707  0.00  0.00    +0.031 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6