REMARK  Name = BDB036574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.504   0.184   0.443  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -1.038   0.520   1.745  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1        0.277   0.233   2.150  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        1.134  -0.402   1.233  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.652  -0.717  -0.022  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1        1.635  -1.317  -0.744  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1        2.784  -1.402   0.023  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1        2.478  -0.859   1.204  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1       -0.640  -0.450  -0.463  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -2.846   0.515   0.117  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1       -3.289   0.955   0.921  0.00  0.00    +0.154 HD
BRANCH  10  16
ATOM     12  C   LIG    1       -5.368   0.450  -2.335  0.00  0.00    +0.038 A 
ATOM     13  N   LIG    1       -4.289  -0.119  -2.947  0.00  0.00    -0.280 N 
ATOM     14  H   LIG    1       -4.224  -0.483  -3.892  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1       -3.201  -0.190  -2.168  0.00  0.00    -0.158 NA
ATOM     16  C   LIG    1       -3.578   0.349  -1.006  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1       -4.932   0.767  -1.067  0.00  0.00    +0.068 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -7.569  -0.592  -2.845  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -6.678   0.629  -3.013  0.00  0.00    +0.051 C 
ENDBRANCH  12  19
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  O   LIG    1       -1.978   1.138   2.544  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1       -1.589   1.475   3.870  0.00  0.00    +0.277 C 
ENDBRANCH   2  20
BRANCH   8  22
ATOM     22  N   LIG    1        3.373  -0.727   2.255  0.00  0.00    -0.196 N 
ATOM     23  H   LIG    1        3.134  -0.161   3.063  0.00  0.00    +0.175 HD
BRANCH  22  24
ATOM     24  S   LIG    1        4.979  -1.167   2.189  0.00  0.00    +0.075 S 
ATOM     25  O   LIG    1        5.053  -2.590   1.929  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1        5.606  -0.617   3.373  0.00  0.00    -0.150 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.644  -0.299   0.798  0.00  0.00    +0.128 A 
ATOM     28  C   LIG    1        5.585   1.095   0.706  0.00  0.00    +0.068 A 
ATOM     29 CL   LIG    1        4.847   2.112   1.891  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        6.135   1.731  -0.413  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        6.739   0.984  -1.428  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        6.793  -0.404  -1.328  0.00  0.00    +0.043 A 
ATOM     33 CL   LIG    1        7.537  -1.320  -2.577  0.00  0.00    -0.083 Cl
ATOM     34  C   LIG    1        6.251  -1.051  -0.221  0.00  0.00    +0.050 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7