REMARK  Name = BDB032851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272   0.723   0.189  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        0.455   1.843   0.408  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.762   1.987  -0.267  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1       -1.228   0.983  -1.113  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -0.437  -0.145  -1.333  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.791  -0.276  -0.670  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.517   1.141  -1.816  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1       -3.543   0.244  -1.655  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1       -4.351   0.405  -2.239  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1       -2.660   2.091  -2.586  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.659  -0.690  -0.667  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1       -5.122  -1.573  -0.709  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1       -4.607  -2.424   0.671  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1       -3.369  -1.989   1.081  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1       -2.828  -0.981   0.301  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1       -5.405  -3.442   1.273  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1       -4.925  -3.998   2.270  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1       -6.504  -3.699   0.766  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  N   LIG    1        2.450   0.611   0.931  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        2.822   1.524   1.185  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.498  -0.335   0.559  0.00  0.00    +0.101 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.334  -1.643   1.335  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.774  -2.376   1.197  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.324  -2.728   0.908  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   3  25
ATOM     25  O   LIG    1       -1.553   3.115  -0.027  0.00  0.00    -0.425 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.101   4.246  -0.698  0.00  0.00    +0.309 C 
ATOM     27  O   LIG    1       -0.052   4.368  -1.317  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -2.103   5.346  -0.511  0.00  0.00    +0.136 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9