REMARK  Name = BDB045374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.189  -2.823  -2.708  0.00  0.00    -0.073 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.981  -2.772  -2.388  0.00  0.00    +0.150 C 
ATOM      3  C   LIG    1       -2.496  -1.371  -2.172  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1       -2.229  -0.453  -2.939  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -3.294  -1.359  -1.043  0.00  0.00    -0.209 N 
ATOM      6  C   LIG    1       -3.368  -2.616  -0.479  0.00  0.00    +0.228 C 
ATOM      7  O   LIG    1       -4.101  -3.019   0.416  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.421  -3.549  -1.171  0.00  0.00    +0.120 C 
BRANCH   5   9
ATOM      9  C   LIG    1       -3.988  -0.209  -0.544  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -4.128   0.965  -1.306  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.806   2.090  -0.813  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -5.357   2.065   0.461  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.188   3.441   1.067  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -5.234   0.925   1.243  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -4.555  -0.196   0.744  0.00  0.00    +0.025 A 
ENDBRANCH   5   9
ENDBRANCH   1   2
BRANCH   1  19
ATOM     16  C   LIG    1        1.823  -0.656  -0.264  0.00  0.00    +0.162 A 
ATOM     17  N   LIG    1        1.652  -1.315  -1.457  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1        2.286  -1.348  -2.238  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        0.429  -1.902  -1.396  0.00  0.00    +0.190 A 
ATOM     20  N   LIG    1       -0.138  -1.644  -0.247  0.00  0.00    -0.122 NA
ATOM     21  N   LIG    1        0.738  -0.861   0.468  0.00  0.00    -0.129 NA
BRANCH  16  25
ATOM     22  C   LIG    1        5.227   1.669   0.930  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        4.123   1.536   1.768  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.021   0.772   1.361  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        2.998   0.130   0.114  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        4.114   0.271  -0.721  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        5.215   1.033  -0.313  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.418   3.052   2.451  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.363   2.379   1.199  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  16  25
ENDBRANCH   1  19
TORSDOF 5