REMARK  Name = BDB036458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625  -0.661   1.200  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.739  -0.523   0.833  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.192   0.504   1.633  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.494   0.995   1.624  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        3.401   0.397   0.732  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.952  -0.648  -0.099  0.00  0.00    +0.070 A 
ATOM      7  O   LIG    1        0.174   0.951   2.414  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.627  -1.132  -0.071  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -0.971   0.223   2.140  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.482  -1.594   0.631  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.148  -2.106  -0.183  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.146  -1.559   0.779  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.452  -1.756   2.181  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.655  -2.488  -0.214  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.111   0.554  -0.971  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.614   0.063   0.243  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.483   0.859   0.994  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.828   2.140   0.542  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.284   2.643  -0.638  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.421   1.851  -1.393  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.903  -0.633  -2.939  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.259  -0.198  -1.739  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.117   0.388   2.110  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.576   0.972   3.297  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        4.721   0.892   0.711  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        4.918   1.625   1.379  0.00  0.00    +0.157 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.763   0.508  -0.046  0.00  0.00    +0.292 A 
ATOM     28  O   LIG    1        6.924   1.190   0.209  0.00  0.00    -0.433 OA
ATOM     29  C   LIG    1        7.832   0.652  -0.651  0.00  0.00    +0.218 A 
ATOM     30  C   LIG    1        7.195  -0.316  -1.381  0.00  0.00    +0.154 A 
ATOM     31  N   LIG    1        5.883  -0.400  -0.991  0.00  0.00    -0.204 NA
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  32
ATOM     32  O   LIG    1        1.129  -2.138  -0.856  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1        2.046  -2.796  -1.724  0.00  0.00    +0.277 C 
ENDBRANCH   8  32
TORSDOF 8