REMARK  Name = BDB012186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.049  -0.608  -0.099  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        0.602   0.717   0.460  0.00  0.00    +0.023 C 
ATOM      3  C   LIG    1        2.098   0.634   0.738  0.00  0.00    +0.015 C 
ATOM      4  C   LIG    1        2.898   0.369  -0.550  0.00  0.00    +0.077 C 
ATOM      5  C   LIG    1        2.119  -0.490  -1.566  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1        1.102  -1.405  -0.886  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.213  -0.247  -0.213  0.00  0.00    +0.221 A 
ATOM      8  O   LIG    1        5.307   0.576  -0.205  0.00  0.00    -0.420 OA
ATOM      9  C   LIG    1        6.308  -0.296   0.143  0.00  0.00    +0.248 A 
ATOM     10  N   LIG    1        5.863  -1.524   0.326  0.00  0.00    -0.107 NA
ATOM     11  N   LIG    1        4.503  -1.492   0.098  0.00  0.00    -0.112 NA
BRANCH   9  12
ATOM     12  C   LIG    1        7.659   0.239   0.254  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        8.717  -0.616   0.603  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       10.022  -0.130   0.716  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       10.287   1.217   0.482  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        9.249   2.079   0.135  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.943   1.593   0.022  0.00  0.00    +0.013 A 
ENDBRANCH   9  12
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  C   LIG    1       -2.356  -0.065  -0.375  0.00  0.00    +0.214 C 
ATOM     19  N   LIG    1       -1.123  -0.351  -0.928  0.00  0.00    -0.312 N 
ATOM     20  H   LIG    1       -0.990  -0.194  -1.919  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.562  -0.037   0.833  0.00  0.00    -0.276 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.408   0.263  -1.417  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.827   0.235  -0.861  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  S   LIG    1       -5.411  -1.477  -0.635  0.00  0.00    -0.087 S 
BRANCH  24  28
ATOM     25  C   LIG    1       -9.494   1.362   0.489  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1       -8.791   0.043   0.641  0.00  0.00    +0.046 A 
ATOM     27  N   LIG    1       -7.580  -0.054  -0.004  0.00  0.00    -0.228 NA
ATOM     28  C   LIG    1       -6.947  -1.173   0.114  0.00  0.00    +0.169 A 
ATOM     29  N   LIG    1       -7.399  -2.244   0.815  0.00  0.00    -0.302 N 
ATOM     30  H   LIG    1       -6.842  -3.082   0.861  0.00  0.00    +0.171 HD
ATOM     31  C   LIG    1       -8.588  -2.215   1.472  0.00  0.00    +0.252 A 
ATOM     32  O   LIG    1       -9.028  -3.162   2.112  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1       -9.331  -0.950   1.363  0.00  0.00    +0.093 A 
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  19
TORSDOF 7