REMARK  Name = BDB003807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.198   1.024  -1.069  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1        0.021   2.443  -1.251  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -0.291   0.128  -2.201  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -3.860  -0.102   0.269  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.706   0.021  -0.517  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.667   0.852  -0.089  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1       -1.765   1.566   1.110  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -2.912   1.443   1.891  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.956   0.612   1.474  0.00  0.00    +0.015 A 
BRANCH   4  10
ATOM     10  C   LIG    1       -4.943  -1.002  -0.212  0.00  0.00    +0.339 C 
ATOM     11  O   LIG    1       -4.851  -1.686  -1.218  0.00  0.00    -0.245 OA
BRANCH  10  13
ATOM     12  C   LIG    1       -7.102  -1.783   0.212  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1       -6.016  -0.947   0.616  0.00  0.00    -0.464 OA
ENDBRANCH  10  13
ENDBRANCH   4  10
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  N   LIG    1        1.009   0.416  -0.040  0.00  0.00    -0.168 NA
ATOM     15  C   LIG    1        0.923  -1.020   0.289  0.00  0.00    +0.132 C 
BRANCH  14  16
ATOM     16  C   LIG    1        2.389   0.966  -0.251  0.00  0.00    +0.165 C 
ATOM     17  C   LIG    1        3.152   0.998   1.084  0.00  0.00    +0.238 C 
ATOM     18  O   LIG    1        2.597   0.932   2.182  0.00  0.00    -0.274 OA
ATOM     19  N   LIG    1        4.497   1.247   1.042  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        4.731   1.504   1.999  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        5.331   0.191   0.804  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        6.072  -0.220   1.694  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        5.370  -0.377  -0.591  0.00  0.00    +0.096 C 
ATOM     24  C   LIG    1        4.023  -0.846  -1.112  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1        3.097   0.319  -1.445  0.00  0.00    +0.030 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5