REMARK  Name = BDB051525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.891  -1.329  -0.343  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        0.318  -0.072  -0.048  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        1.078   0.861   0.660  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.397   0.576   1.026  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.992  -0.655   0.709  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.215  -1.608   0.027  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.391  -0.892   1.124  0.00  0.00    +0.110 A 
ATOM      8  S   LIG    1        5.340  -2.164   0.452  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        6.683  -1.698   1.417  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.323  -0.594   2.187  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        7.278  -0.035   3.061  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        8.558  -0.593   3.140  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.896  -1.695   2.362  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.966  -2.267   1.487  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        5.026  -0.146   2.008  0.00  0.00    -0.239 NA
ENDBRANCH   5   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.583  -3.478  -1.343  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        0.056  -2.200  -1.008  0.00  0.00    -0.493 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1       -1.042   0.155  -0.384  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1       -1.345  -0.592  -1.008  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.665   1.375  -0.751  0.00  0.00    +0.134 A 
ATOM     21  C   LIG    1       -3.071   1.413  -0.856  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -3.612   2.638  -1.263  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1       -4.989   2.752  -1.404  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -5.854   1.683  -1.141  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1       -5.324   0.457  -0.714  0.00  0.00    +0.162 A 
ATOM     26  N   LIG    1       -2.859   3.710  -1.525  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -1.539   3.568  -1.371  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -3.941   0.328  -0.575  0.00  0.00    +0.062 A 
ATOM     29  N   LIG    1       -0.903   2.456  -0.996  0.00  0.00    -0.220 NA
BRANCH  25  30
ATOM     30  O   LIG    1       -6.228  -0.544  -0.467  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.738  -1.760   0.079  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  24  32
ATOM     32  O   LIG    1       -7.220   1.741  -1.265  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -7.795   2.969  -1.690  0.00  0.00    +0.277 C 
ENDBRANCH  24  32
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6