REMARK  Name = BDB033582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.879  -1.997  -1.816  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.246  -1.323  -1.269  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.285  -1.733  -2.087  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.612  -1.352  -1.935  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        2.873  -0.468  -0.884  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        1.865  -0.012  -0.015  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.206   0.940   1.103  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        1.051   1.087   2.079  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -0.235   1.226   1.290  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1       -0.513   0.041   0.543  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        0.806  -2.546  -3.063  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        0.528  -0.413  -0.229  0.00  0.00    +0.141 A 
ATOM     13  N   LIG    1       -0.564  -2.680  -2.921  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -2.206  -1.954  -1.403  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -2.834  -2.378  -2.086  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.639  -2.576   0.110  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -1.425  -3.016   0.770  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.719  -3.506  -0.154  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.956  -0.141   0.356  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.342  -1.219   1.008  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.260  -1.218   2.408  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.794  -0.158   3.149  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.397   0.914   2.499  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.488   0.917   1.109  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.647   1.011  -1.650  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.144  -0.161  -1.001  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -2.780  -2.305   3.091  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -1.544  -2.012   3.743  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  O   LIG    1        4.183  -0.090  -0.672  0.00  0.00    -0.436 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.634   0.985  -1.431  0.00  0.00    +0.240 A 
ATOM     31  N   LIG    1        3.773   1.728  -2.164  0.00  0.00    -0.111 NA
ATOM     32  N   LIG    1        4.244   2.788  -2.882  0.00  0.00    -0.154 NA
ATOM     33  C   LIG    1        5.561   3.079  -2.846  0.00  0.00    +0.135 A 
ATOM     34  C   LIG    1        6.465   2.344  -2.102  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        5.986   1.266  -1.370  0.00  0.00    +0.071 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7