REMARK  Name = BDB034886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.596  -0.795  -1.411  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1        0.156  -1.872  -0.843  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1       -1.019  -2.025  -0.098  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.151  -3.264   0.513  0.00  0.00    +0.101 A 
ATOM      5  C   LIG    1       -0.176  -4.143   0.254  0.00  0.00    +0.066 A 
ATOM      6  S   LIG    1        1.034  -3.451  -0.793  0.00  0.00    -0.060 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.904  -0.945   0.154  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -2.590  -0.269  -0.872  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -2.517  -0.789  -2.522  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -3.429   0.816  -0.582  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.620   1.244   0.739  0.00  0.00    -0.021 A 
ATOM     12  C   LIG    1       -2.943   0.572   1.763  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.107  -0.511   1.477  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.493   2.438   1.024  0.00  0.00    +0.191 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -5.131   2.303   2.287  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1       -5.706   3.079   2.392  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  O   LIG    1        1.900  -1.380  -3.192  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1        1.780  -0.858  -2.089  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.967  -0.234  -1.450  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        2.890   0.598  -0.313  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        4.099   1.084   0.180  0.00  0.00    +0.139 A 
ATOM     22  N   LIG    1        3.839   1.863   1.274  0.00  0.00    -0.346 N 
ATOM     23  H   LIG    1        4.557   2.331   1.807  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        2.490   1.907   1.502  0.00  0.00    +0.085 A 
ATOM     25  N   LIG    1        5.336   0.860  -0.299  0.00  0.00    -0.237 NA
ATOM     26  C   LIG    1        5.349   0.070  -1.393  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        1.877   1.139   0.535  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        4.234  -0.488  -1.994  0.00  0.00    +0.033 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5