REMARK  Name = BDB033808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.222  -0.350   0.866  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.514  -0.078   0.625  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.428  -0.841   1.251  0.00  0.00    +0.222 A 
ATOM      4  C   LIG    1       -2.119  -1.880   2.100  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -3.148  -2.720   2.775  0.00  0.00    +0.051 C 
ATOM      6  C   LIG    1       -0.771  -2.078   2.276  0.00  0.00    +0.123 A 
ATOM      7  N   LIG    1        0.179  -1.337   1.677  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        0.682   0.467   0.192  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        0.169   1.138  -0.358  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  C   LIG    1        4.876   0.877   0.061  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        4.060   1.659  -0.755  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        2.671   1.504  -0.687  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        2.076   0.584   0.196  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        2.922  -0.180   1.008  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        4.313  -0.034   0.954  0.00  0.00    +0.030 A 
BRANCH  10  16
ATOM     16  S   LIG    1        6.638   1.079  -0.012  0.00  0.00    +0.058 S 
ATOM     17  O   LIG    1        6.911   2.450  -0.383  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        7.215   0.479   1.170  0.00  0.00    -0.153 OA
BRANCH  16  20
ATOM     19  C   LIG    1        6.767  -1.285  -1.342  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1        7.054   0.140  -1.333  0.00  0.00    -0.193 NA
ATOM     21  H   LIG    1        7.124   0.645  -2.214  0.00  0.00    +0.148 HD
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  O   LIG    1       -3.770  -0.608   1.016  0.00  0.00    -0.470 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.051   0.571   0.264  0.00  0.00    +0.203 C 
ATOM     24  C   LIG    1       -3.939   0.358  -1.252  0.00  0.00    +0.155 C 
ATOM     25  C   LIG    1       -4.735   1.529  -1.814  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1       -5.874   1.756  -0.814  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -5.526   0.939   0.430  0.00  0.00    +0.047 C 
BRANCH  24  28
ATOM     28  O   LIG    1       -4.569  -0.861  -1.654  0.00  0.00    -0.388 OA
ATOM     29  H   LIG    1       -4.220  -1.553  -1.063  0.00  0.00    +0.210 HD
ENDBRANCH  24  28
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7