REMARK  Name = BDB033638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.080   0.638  -1.300  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -0.225   1.136  -1.305  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -1.196   0.348  -0.720  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.633   0.570  -0.577  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -3.130  -0.501   0.116  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -2.156  -1.431   0.365  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -2.254  -2.516   0.904  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -3.221   1.528  -1.039  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.905  -0.877  -0.147  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.377  -1.388  -0.128  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.383  -0.609  -0.712  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.542  -0.762   0.345  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -5.191  -1.211  -0.969  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.565  -1.694  -1.911  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.563  -1.103  -1.023  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.996  -1.409  -1.884  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.395  -0.490  -0.119  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.601  -0.402  -0.329  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.760   0.004   1.160  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.312   0.416   0.936  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.131   1.435  -1.830  0.00  0.00    -0.216 N 
ATOM     22  H   LIG    1        1.949   1.942  -2.698  0.00  0.00    +0.174 HD
BRANCH  21  23
ATOM     23  S   LIG    1        2.986   2.425  -0.751  0.00  0.00    +0.072 S 
ATOM     24  O   LIG    1        3.662   3.414  -1.562  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1        2.111   2.808   0.335  0.00  0.00    -0.150 OA
BRANCH  23  31
ATOM     26  C   LIG    1        7.253  -1.336   1.386  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        6.205  -0.405   0.839  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1        6.236   0.042  -0.493  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1        7.477  -0.458  -1.585  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        5.254   0.908  -0.978  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        4.228   1.325  -0.127  0.00  0.00    +0.110 A 
ATOM     32  C   LIG    1        4.185   0.903   1.202  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1        5.171   0.038   1.680  0.00  0.00    +0.007 A 
ENDBRANCH  23  31
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 4