REMARK  Name = BDB032897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887   0.120   0.683  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        0.349  -0.465   1.046  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.185   0.112   2.018  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.839   1.331   2.591  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.334   1.964   2.196  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.178   1.370   1.247  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.760  -1.760   0.459  0.00  0.00    +0.251 C 
ATOM      8  N   LIG    1        1.988  -1.935  -0.127  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        2.259  -2.902  -0.252  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1       -0.001  -2.721   0.587  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.820  -1.053  -0.765  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        2.369   0.546  -1.156  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        3.870   0.774  -1.918  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        4.612  -0.383  -1.858  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        3.996  -1.440  -1.206  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        4.268   2.042  -2.545  0.00  0.00    -0.022 NA
ATOM     17  O   LIG    1        5.400   2.043  -3.040  0.00  0.00    -0.143 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  18
ATOM     18  N   LIG    1       -1.687  -0.476  -0.306  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -1.560  -1.495  -0.281  0.00  0.00    +0.146 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -3.889  -1.331  -0.916  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -3.088  -0.093  -0.501  0.00  0.00    +0.064 C 
ATOM     22  C   LIG    1       -3.179   0.968  -1.598  0.00  0.00    +0.027 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 5