REMARK  Name = BDB033689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.381  -0.836  -2.373  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.733  -0.692  -1.052  0.00  0.00    +0.237 A 
ATOM      3  N   LIG    1       -0.874  -0.301  -0.086  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        0.393  -0.046  -0.450  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.823  -0.157  -1.716  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.069  -0.550  -2.650  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.992  -1.575  -4.250  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -2.285  -1.245  -3.391  0.00  0.00    +0.106 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        1.232   0.358   0.584  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.709   0.365   1.448  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.598   0.647   0.672  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.488   0.550  -0.404  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.843   0.873  -0.261  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.318   1.316   0.972  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        4.458   1.419   2.063  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.108   1.091   1.906  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        7.031   1.726   1.166  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        7.389   1.552   2.554  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        7.775   1.117   0.088  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        7.020   3.377   0.836  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        7.570   3.547  -0.008  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        6.081   3.767   0.762  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -3.044  -0.964  -0.710  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.335  -0.803   0.681  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.801  -1.136   0.931  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -5.878  -0.445   0.052  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -6.691  -1.752   0.151  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -5.355  -2.485   0.397  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8