REMARK  Name = BDB059517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.366   0.086  -2.411  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.707   0.269  -1.388  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.328   0.622  -0.202  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.824   0.449   0.657  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.742   0.123  -1.302  0.00  0.00    +0.074 A 
ATOM      6  S   LIG    1       -1.581  -0.633  -2.599  0.00  0.00    -0.088 S 
ATOM      7  C   LIG    1       -3.075  -0.448  -1.824  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -4.360  -0.947  -2.397  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1       -5.545  -0.327  -1.623  0.00  0.00    +0.090 C 
ATOM     10  N   LIG    1       -5.329  -0.373  -0.159  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.190   0.484   0.243  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -2.983   0.183  -0.603  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -1.623   0.518  -0.307  0.00  0.00    +0.026 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -6.529  -0.084   0.653  0.00  0.00    +0.057 C 
ATOM     15  C   LIG    1       -7.454  -1.323   0.690  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -8.823  -0.966   1.259  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -9.550   0.060   0.389  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -8.610   0.953  -0.422  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -7.298   1.214   0.309  0.00  0.00    +0.019 C 
ENDBRANCH  10  14
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        2.780   0.610  -0.091  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.301  -0.803   0.196  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.912  -1.171   1.535  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        3.712  -1.007   2.077  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.833  -0.964   0.057  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.584  -0.464   1.237  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        6.880  -1.167   1.370  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        8.000  -0.543   0.576  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        8.156   0.850   0.674  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        9.216   1.487   0.028  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       10.110   0.733  -0.733  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.953  -0.650  -0.840  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.142   1.579   1.512  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        8.903  -1.292  -0.181  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.739   1.015   1.210  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7