REMARK  Name = BDB036460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.281   1.303   1.525  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.759   0.422   1.134  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.878   0.964   1.739  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        3.170   0.452   1.631  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        3.331  -0.720   0.880  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.205  -1.312   0.278  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1        1.518   2.054   2.469  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.917  -0.751   0.378  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1        0.151   2.244   2.370  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.636   1.226   1.209  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.176   1.825   1.837  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.108   1.707  -0.355  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.673   3.036  -0.227  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -0.998   1.462  -1.253  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.569  -0.025  -1.966  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.463   0.602  -0.710  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.446   0.398   0.283  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.491  -0.496   0.029  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.576  -1.153  -1.196  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.628  -0.913  -2.188  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.827  -0.221  -4.239  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.642   0.279  -2.921  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.329   1.099   1.456  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -5.415   1.054   2.375  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.582  -1.344   0.691  0.00  0.00    -0.298 N 
ATOM     26  H   LIG    1        4.558  -2.337   0.912  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.884  -0.879   0.914  0.00  0.00    +0.145 A 
ATOM     28  N   LIG    1        6.793  -1.772   1.361  0.00  0.00    -0.134 NA
ATOM     29  N   LIG    1        8.095  -1.401   1.585  0.00  0.00    -0.156 NA
ATOM     30  C   LIG    1        8.472  -0.134   1.337  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1        7.590   0.810   0.857  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        6.271   0.425   0.637  0.00  0.00    +0.047 A 
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  33
ATOM     33  O   LIG    1       -0.182  -1.372  -0.164  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -0.025  -1.647  -1.555  0.00  0.00    +0.277 C 
ENDBRANCH   8  33
TORSDOF 8