REMARK  Name = BDB034913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.615   1.623  -1.061  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.416   1.873  -0.326  0.00  0.00    +0.153 C 
ATOM      3  N   LIG    1       -1.578   1.153  -0.110  0.00  0.00    -0.282 N 
ATOM      4  C   LIG    1       -2.883   1.743  -0.418  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.853   3.269  -0.398  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -2.045   3.786   0.780  0.00  0.00    +0.078 C 
ATOM      7  S   LIG    1       -0.288   3.398   0.572  0.00  0.00    -0.092 S 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.556  -0.216   0.254  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -2.530  -1.134  -0.176  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -2.457  -2.478   0.197  0.00  0.00    +0.119 A 
ATOM     11  C   LIG    1       -1.431  -2.942   1.007  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -0.457  -2.055   1.447  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -0.522  -0.709   1.075  0.00  0.00    +0.024 A 
BRANCH  10  14
ATOM     14  O   LIG    1       -3.384  -3.384  -0.229  0.00  0.00    -0.507 OA
ATOM     15  H   LIG    1       -3.978  -2.951  -0.864  0.00  0.00    +0.292 HD
ENDBRANCH  10  14
ENDBRANCH   3   8
BRANCH   1  17
ATOM     16  O   LIG    1       -0.337   0.389  -2.744  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        0.530   0.538  -1.887  0.00  0.00    +0.271 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.604  -0.432  -1.675  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        2.752  -0.378  -0.812  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        3.434  -1.582  -0.963  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        4.561  -1.977  -0.343  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        5.045  -1.048   0.512  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        4.478   0.193   0.762  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1        2.762  -2.341  -1.877  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1        3.058  -3.263  -2.162  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        3.307   0.548   0.092  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        1.660  -1.663  -2.320  0.00  0.00    +0.098 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4