REMARK  Name = BDB015492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.687  -0.985   0.286  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.679  -1.819   0.546  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.464  -1.264   0.527  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.207   0.030   0.278  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.255   0.823  -0.017  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -2.548   0.349  -0.015  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.946   2.242  -0.331  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.106   2.821   0.279  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        0.463   4.141   0.051  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        1.615   4.673   0.763  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.234   4.965  -0.829  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        0.042   6.144  -1.040  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.384   4.325  -1.547  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.114   5.175  -2.537  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.690   3.042  -1.292  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1       -3.953  -1.611   0.256  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1       -4.737  -1.058   0.596  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -4.362  -2.315  -1.217  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1       -5.799  -2.485  -1.155  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.759  -1.546  -2.285  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.594  -3.932  -1.102  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.302  -6.165  -2.219  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.960  -4.798  -2.301  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.582  -2.128   0.836  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.841  -1.641   0.581  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        2.436  -1.792  -0.673  0.00  0.00    +0.083 A 
ATOM     27 CL   LIG    1        1.622  -2.589  -1.969  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        3.719  -1.294  -0.891  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.408  -0.655   0.145  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.829  -0.514   1.416  0.00  0.00    -0.041 A 
ATOM     31  C   LIG    1        2.539  -1.026   1.627  0.00  0.00    +0.051 A 
BRANCH  30  32
ATOM     32  C   LIG    1        4.594   0.194   2.521  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1        4.833  -0.722   3.723  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        3.887   1.483   2.947  0.00  0.00    +0.012 C 
ENDBRANCH  30  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8