REMARK  Name = BDB034086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.433   0.803  -0.203  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.645  -0.603  -0.563  0.00  0.00    -0.288 N 
ATOM      3  H   LIG    1       -0.818  -0.805  -1.539  0.00  0.00    +0.151 HD
ATOM      4  C   LIG    1       -1.171  -1.499   0.322  0.00  0.00    +0.300 C 
ATOM      5  N   LIG    1       -1.269  -2.747  -0.227  0.00  0.00    -0.302 N 
ATOM      6  H   LIG    1       -0.547  -2.954  -0.904  0.00  0.00    +0.150 HD
ATOM      7  C   LIG    1       -1.731  -3.849   0.579  0.00  0.00    +0.129 C 
ATOM      8  O   LIG    1       -1.534  -1.195   1.451  0.00  0.00    -0.253 OA
ENDBRANCH   1   2
BRANCH   1  11
ATOM      9  N   LIG    1       -2.698   1.225   0.641  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -2.496   0.387   1.192  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -1.770   1.565  -0.323  0.00  0.00    +0.234 C 
ATOM     12  O   LIG    1       -1.987   2.399  -1.199  0.00  0.00    -0.274 OA
BRANCH   9  13
ATOM     13  C   LIG    1       -4.084   1.705   0.609  0.00  0.00    +0.089 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.915   0.857  -0.402  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -5.177  -0.569   0.101  0.00  0.00    +0.009 C 
BRANCH  14  17
ATOM     16  C   LIG    1       -6.115   2.877  -1.453  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -6.251   1.487  -0.849  0.00  0.00    +0.002 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
BRANCH  13  18
ATOM     18  C   LIG    1       -4.625   1.761   2.062  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -5.924   2.412   2.212  0.00  0.00    -0.328 NA
ATOM     20  H   LIG    1       -5.862   3.373   1.878  0.00  0.00    +0.118 HD
ATOM     21  H   LIG    1       -6.155   2.472   3.204  0.00  0.00    +0.118 HD
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   9  13
ENDBRANCH   1  11
BRANCH   1  22
ATOM     22  C   LIG    1        0.616   1.465  -1.105  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.964   0.827  -0.962  0.00  0.00    +0.082 A 
ATOM     24  S   LIG    1        3.019   1.296   0.310  0.00  0.00    -0.072 S 
ATOM     25  C   LIG    1        4.197   0.173  -0.253  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        3.699  -0.479  -1.381  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        4.505  -1.446  -2.011  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        5.777  -1.734  -1.502  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.271  -1.075  -0.370  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        5.472  -0.108   0.268  0.00  0.00    +0.021 A 
ATOM     31  N   LIG    1        2.427  -0.098  -1.775  0.00  0.00    -0.244 NA
BRANCH  29  32
ATOM     32  C   LIG    1        7.659  -1.417   0.150  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1        7.594  -2.038   1.548  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        8.585  -0.198   0.136  0.00  0.00    +0.012 C 
ENDBRANCH  29  32
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 10