REMARK  Name = BDB055276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.467   3.629  -0.005  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.015   2.407   0.499  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.263   1.174  -0.165  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.993   1.208  -1.363  0.00  0.00    +0.073 A 
ATOM      5  N   LIG    1       -2.288   0.114  -2.074  0.00  0.00    -0.247 NA
ATOM      6  C   LIG    1       -1.893  -1.091  -1.643  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -1.156  -1.283  -0.462  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -0.793  -2.615  -0.103  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -1.143  -3.710  -0.892  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -1.868  -3.488  -2.054  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -2.234  -2.190  -2.415  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -2.436   2.430  -1.852  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -0.832  -0.109   0.277  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.182   3.636  -1.192  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -1.620   5.981   0.297  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -1.142   4.720   0.749  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH   9  17
ATOM     17  O   LIG    1       -0.842  -5.018  -0.641  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1       -0.098  -5.296   0.539  0.00  0.00    +0.277 C 
ENDBRANCH   9  17
BRANCH  13  19
ATOM     19  S   LIG    1        0.145  -0.249   1.802  0.00  0.00    -0.124 S 
BRANCH  19  20
ATOM     20  C   LIG    1        1.809  -0.119   1.061  0.00  0.00    +0.076 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.875  -0.240   2.147  0.00  0.00    +0.026 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.295  -0.039   1.613  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.691  -1.085   0.677  0.00  0.00    -0.330 NA
ATOM     24  H   LIG    1        5.678  -0.969   0.443  0.00  0.00    +0.118 HD
ATOM     25  H   LIG    1        4.188  -0.983  -0.203  0.00  0.00    +0.118 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 7