REMARK  Name = BDB012090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.673  -1.536   2.271  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        0.124  -0.485   1.457  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.196  -0.192   1.753  0.00  0.00    +0.007 A 
ATOM      4  S   LIG    1       -1.775  -1.172   3.032  0.00  0.00    -0.099 S 
ATOM      5  C   LIG    1       -0.275  -1.973   3.179  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   8
ATOM      6  N   LIG    1        2.780  -1.738   1.143  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1        2.294  -1.356   0.342  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        2.022  -2.108   2.231  0.00  0.00    +0.245 C 
ATOM      9  O   LIG    1        2.433  -2.871   3.099  0.00  0.00    -0.270 OA
BRANCH   6  10
ATOM     10  C   LIG    1        4.049  -2.373   0.872  0.00  0.00    +0.145 C 
BRANCH  10  17
ATOM     11  C   LIG    1        7.335   1.063  -2.474  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        6.528   0.225  -1.532  0.00  0.00    +0.016 A 
ATOM     13  N   LIG    1        5.524  -0.538  -2.074  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        5.346  -0.510  -3.071  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        4.688  -1.349  -1.351  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        3.780  -1.975  -1.889  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        4.927  -1.414   0.128  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        5.914  -0.655   0.656  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1        6.258  -0.582   2.118  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        6.732   0.186  -0.207  0.00  0.00    +0.024 A 
ENDBRANCH  10  17
ENDBRANCH   6  10
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.104   0.847   1.110  0.00  0.00    +0.090 C 
ATOM     22  C   LIG    1       -1.660   2.230   1.627  0.00  0.00    +0.030 C 
BRANCH  21  23
ATOM     23  N   LIG    1       -2.063   0.733  -0.373  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -2.737   1.828  -1.090  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -4.262   1.809  -0.954  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -4.832   0.465  -1.442  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1       -4.113  -0.703  -0.745  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -2.591  -0.557  -0.865  0.00  0.00    +0.086 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -6.309   0.455  -1.367  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1       -6.854   0.353  -0.014  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -6.892  -0.584  -2.219  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6