REMARK  Name = BDB036515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.690  -0.326  -0.440  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.903   0.519  -1.266  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -0.357   0.111  -1.740  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.850  -1.155  -1.371  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -0.047  -1.954  -0.576  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -0.667  -3.140  -0.351  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -1.891  -3.150  -0.991  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -2.009  -1.952  -1.577  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.206  -1.593  -0.088  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        2.948   0.163  -0.001  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        3.106   1.085  -0.402  0.00  0.00    +0.154 HD
BRANCH  10  14
ATOM     12  N   LIG    1        5.747  -0.610   1.906  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1        5.088   0.261   1.085  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1        3.898  -0.362   0.792  0.00  0.00    +0.141 A 
ATOM     15  N   LIG    1        3.817  -1.573   1.419  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        4.943  -1.698   2.084  0.00  0.00    +0.201 A 
BRANCH  12  18
ATOM     17  C   LIG    1        8.170  -0.941   1.620  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        7.051  -0.411   2.499  0.00  0.00    +0.119 C 
ENDBRANCH  12  18
ENDBRANCH  10  14
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1        1.482   1.738  -1.556  0.00  0.00    -0.493 OA
ATOM     20  C   LIG    1        0.704   2.659  -2.313  0.00  0.00    +0.277 C 
ENDBRANCH   2  19
BRANCH   8  21
ATOM     21  N   LIG    1       -3.191  -1.687  -2.261  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -3.879  -2.435  -2.190  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.943  -0.191  -2.318  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -5.341  -0.437  -2.616  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -3.162   0.639  -3.211  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.874   0.437  -0.658  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.405   1.729  -0.394  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -3.289   2.180   0.923  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -3.692   1.366   1.976  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.203   0.094   1.718  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -4.294  -0.387   0.406  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -2.976   2.586  -1.370  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.047   3.426  -1.806  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -4.796  -1.622   0.093  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.878  -2.584   1.141  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 9