REMARK  Name = BDB036542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.453   1.702   0.207  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -3.083   0.435   0.066  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.352  -0.650  -0.439  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.022  -0.415  -0.778  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -0.383   0.801  -0.651  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        0.936   0.542  -1.109  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1        1.078  -0.731  -1.487  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.152  -1.330  -1.279  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -1.106   1.897  -0.146  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.723   4.001   0.824  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -3.270   2.693   0.713  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -4.433   0.328   0.448  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1       -4.842   1.189   0.789  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -5.371  -0.694   0.460  0.00  0.00    +0.220 A 
ATOM     15  N   LIG    1       -5.070  -1.935   0.047  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1       -6.048  -2.859   0.093  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -7.319  -2.596   0.536  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -7.536  -1.304   0.939  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1       -6.590  -0.347   0.911  0.00  0.00    -0.223 NA
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1        1.950   1.490  -1.142  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1        1.827   2.371  -0.655  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.564   1.126  -1.413  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        4.297   2.327  -1.055  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.659   0.589  -2.754  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.958  -0.096  -0.195  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        3.616   0.141   1.145  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        3.860  -0.833   2.120  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        4.503  -2.019   1.774  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.894  -2.235   0.455  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        4.610  -1.285  -0.534  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        2.986   1.303   1.516  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        3.852   2.120   2.311  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        5.095  -1.508  -1.793  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        4.330  -2.504  -2.475  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8