REMARK  Name = BDB058341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.880  -2.250   2.186  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.036  -3.423   2.267  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.598  -1.758   3.343  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -1.645   1.153   0.472  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -1.962  -0.184   0.111  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.168  -1.210   0.669  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -0.107  -0.919   1.536  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        0.172   0.391   1.903  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -0.595   1.422   1.366  0.00  0.00    +0.048 A 
BRANCH   5  10
ATOM     10  C   LIG    1       -3.126  -0.529  -0.856  0.00  0.00    -0.009 C 
ATOM     11  C   LIG    1       -4.474  -0.038  -0.281  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -3.298  -2.051  -1.105  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -2.881   0.103  -2.244  0.00  0.00    +0.015 C 
ENDBRANCH   5  10
BRANCH   4  15
ATOM     14  C   LIG    1       -2.061   3.496   0.163  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -2.416   2.142  -0.082  0.00  0.00    -0.495 OA
ENDBRANCH   4  15
ENDBRANCH   1   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.979  -2.547   0.932  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        1.601  -3.210   0.257  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.766  -1.470   0.440  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        2.517  -0.974  -0.841  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.244   0.119  -1.317  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        4.230   0.706  -0.516  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        4.470   0.217   0.773  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        3.738  -0.875   1.246  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.970   1.872  -1.048  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        4.440   2.746  -1.711  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.287   1.841  -0.760  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.603   1.005  -0.370  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7