REMARK  Name = BDB012124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.979  -1.593   0.931  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.778  -1.244   0.313  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.144   0.111   0.439  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -0.242  -2.339  -0.482  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.115  -3.411  -0.493  0.00  0.00    +0.059 A 
ATOM      6  S   LIG    1       -2.484  -3.172   0.483  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.011  -2.400  -1.241  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.053  -1.701  -0.683  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.971  -1.453   0.295  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.124  -3.067  -2.265  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.399  -1.807  -1.196  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.080  -0.479  -1.048  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.536  -0.155   0.343  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        4.281  -0.886   1.296  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        5.235   1.013   0.506  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        5.538   1.210   1.452  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        5.506   1.903  -0.504  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        6.271   3.137  -0.140  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        5.076   1.630  -1.744  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.341   0.407  -2.035  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        3.920   0.252  -3.471  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1       -2.269  -0.582   3.037  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -2.812  -0.824   1.826  0.00  0.00    -0.037 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.221  -0.352   1.428  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.088   0.229   2.561  0.00  0.00    +0.023 C 
ATOM     26  C   LIG    1       -6.449   0.679   2.033  0.00  0.00    +0.081 C 
ATOM     27  N   LIG    1       -6.312   1.667   0.963  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1       -5.835   2.492   1.328  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.538   1.124  -0.153  0.00  0.00    +0.081 C 
ATOM     30  C   LIG    1       -4.144   0.672   0.280  0.00  0.00    +0.023 C 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5