REMARK  Name = BDB036464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.295  -0.602   0.936  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -3.522   0.213  -0.208  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -2.449   0.895  -0.800  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.195   0.725  -0.220  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -0.942  -0.058   0.889  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        0.457   0.086   1.093  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1        1.003   0.883   0.171  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.035   1.286  -0.649  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -2.011  -0.747   1.490  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.303  -1.919   2.662  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -4.419  -1.234   1.422  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -4.853   0.335  -0.678  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -5.422  -0.441  -0.344  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -5.491   1.185  -1.505  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1       -6.680   0.892  -2.039  0.00  0.00    -0.159 NA
ATOM     16  N   LIG    1       -6.997   1.970  -2.769  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1       -7.872   1.961  -3.284  0.00  0.00    +0.188 HD
ATOM     18  C   LIG    1       -6.074   2.967  -2.695  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -5.086   2.491  -1.867  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1        1.172  -0.555   2.093  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1        0.721  -1.195   2.737  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.762  -0.206   2.485  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1        2.847   1.222   2.701  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.089  -1.140   3.546  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.680  -0.716   1.059  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        4.690   0.072   0.512  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        5.392  -0.381  -0.612  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        5.065  -1.601  -1.219  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        5.840  -2.088  -2.407  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        4.055  -2.390  -0.658  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.367  -1.954   0.476  0.00  0.00    +0.033 A 
BRANCH  26  32
ATOM     32  O   LIG    1        5.101   1.232   1.107  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        4.671   2.370   0.358  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7