REMARK  Name = BDB058342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.286   2.175  -0.576  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -2.359   3.379  -1.376  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.733   2.157   0.801  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1        2.056   0.752  -0.749  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1        1.403   1.175  -1.924  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1        2.121   1.167  -3.247  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1        0.073   1.617  -1.860  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -0.600   1.622  -0.636  0.00  0.00    +0.109 A 
ATOM      9  C   LIG    1        0.042   1.206   0.530  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        1.367   0.767   0.469  0.00  0.00    +0.048 A 
BRANCH   4  11
ATOM     11  O   LIG    1        3.348   0.329  -0.915  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.163   0.109   0.238  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.079  -1.353   0.674  0.00  0.00    +0.041 C 
BRANCH  13  15
ATOM     14  C   LIG    1        4.608  -1.012   3.142  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        5.003  -1.695   1.841  0.00  0.00    -0.000 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   4  11
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  N   LIG    1       -3.104   0.958  -1.442  0.00  0.00    -0.215 N 
ATOM     17  H   LIG    1       -3.883   1.415  -1.937  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.482  -0.207  -0.690  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -4.739  -0.319  -0.069  0.00  0.00    +0.081 A 
ATOM     20  C   LIG    1       -5.019  -1.437   0.731  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -4.056  -2.433   0.911  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.813  -2.321   0.292  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.525  -1.210  -0.503  0.00  0.00    +0.025 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -5.770   0.721  -0.296  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1       -5.727   1.576  -1.164  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.803   0.642   0.560  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -7.375   1.402   0.321  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 9