REMARK  Name = BDB060994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.818   0.833   1.447  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.416  -0.326   0.720  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        2.378  -0.229  -0.253  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.973  -1.421  -0.924  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.591  -2.654  -0.672  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.620  -2.734   0.251  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        1.829   1.054  -0.497  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.284   2.193   0.163  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.021  -1.588   0.933  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.286   2.083   1.114  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        4.886   0.808   2.373  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1        4.897   1.612   2.993  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        4.947  -0.058   2.896  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1        0.656  -1.426  -2.125  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        0.355  -2.796  -2.485  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.938  -0.425  -3.128  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1       -0.679  -0.933  -1.188  0.00  0.00    -0.190 NA
ATOM     18  H   LIG    1       -0.993  -1.765  -0.683  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.793  -0.349  -1.978  0.00  0.00    +0.110 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.884   0.234  -1.067  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -3.562  -0.824  -0.188  0.00  0.00    +0.085 C 
ATOM     22  N   LIG    1       -4.731  -0.299   0.525  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1       -4.901  -0.868   1.355  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.627   1.113   0.897  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -3.190   1.590   1.071  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -2.373   1.406  -0.209  0.00  0.00    +0.007 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 5