REMARK  Name = BDB036437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.867  -0.390  -1.056  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        3.235   0.574  -0.076  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.353   0.870   0.973  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.139   0.188   0.990  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.753  -0.751   0.055  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.540  -1.150   0.488  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -0.901  -0.501   1.599  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.152   0.340   1.910  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.629  -1.056  -1.002  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.572  -1.644  -2.969  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        3.805  -0.587  -2.046  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.517   1.168  -0.183  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        4.872   1.078  -1.133  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.310   1.866   0.652  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1        6.339   2.593   0.207  0.00  0.00    -0.159 NA
ATOM     16  N   LIG    1        6.891   3.109   1.314  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1        7.696   3.717   1.209  0.00  0.00    +0.188 HD
ATOM     18  C   LIG    1        6.280   2.710   2.462  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        5.253   1.888   2.065  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.330  -2.082  -0.171  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -1.077  -2.381  -1.107  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.948  -2.350   0.175  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -3.014  -2.848   1.532  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.450  -3.155  -0.924  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.706  -0.757   0.030  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.553  -0.257   1.022  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.126   1.014   0.880  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.830   1.800  -0.232  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.993   1.304  -1.227  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -3.456   0.017  -1.113  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -4.947  -1.020   2.086  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.346  -0.567   3.301  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -2.638  -0.448  -2.114  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.390  -0.718  -3.301  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8