REMARK  Name = BDB015603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.986  -1.213   0.328  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.261  -0.072  -0.336  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.221   0.697  -0.681  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1        1.065   0.412  -0.453  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        1.286  -0.744   0.175  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.305  -1.607   0.601  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -3.363  -4.304   3.612  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -3.260  -3.541   2.331  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.430  -3.628   1.398  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -5.391  -4.339   1.684  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -4.336  -2.864   0.237  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -5.442  -2.871  -0.709  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -3.220  -2.102  -0.067  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.145  -2.044   0.742  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.202  -2.785   1.993  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        2.655  -1.013   0.416  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        2.938  -1.968   0.198  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.205  -0.627   1.957  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        2.101  -0.190   2.784  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.995  -1.776   2.354  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.332   0.754   1.671  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        3.608   1.989   1.151  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.479   0.360   0.746  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1       -0.564   1.851  -1.349  0.00  0.00    -0.462 OA
BRANCH  24  25
ATOM     25  C   LIG    1        0.540   2.730  -1.565  0.00  0.00    +0.235 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.034   4.001  -2.264  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -0.558   3.684  -3.639  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        1.162   5.023  -2.394  0.00  0.00    +0.010 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7