REMARK  Name = BDB064053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.074  -0.887  -0.338  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -3.436   0.458  -0.441  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.468   1.468  -0.350  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.122   1.129  -0.156  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.744  -0.211  -0.059  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.729  -1.209  -0.142  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        0.584  -0.646   0.142  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        0.716  -1.647   0.168  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        1.742   0.119   0.109  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        2.837  -0.656   0.468  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.621  -1.538   0.909  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        1.789   1.304  -0.190  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        4.197  -0.280   0.461  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        5.104  -1.188   1.031  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        6.469  -0.855   1.038  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        6.956   0.336   0.496  0.00  0.00    +0.102 A 
ATOM     17  N   LIG    1        8.333   0.504   0.588  0.00  0.00    -0.141 NA
ATOM     18  N   LIG    1        8.917  -0.522   1.183  0.00  0.00    -0.109 NA
ATOM     19  C   LIG    1        6.035   1.231  -0.078  0.00  0.00    +0.032 A 
ATOM     20  S   LIG    1        7.836  -1.708   1.646  0.00  0.00    +0.037 S 
ATOM     21  C   LIG    1        4.667   0.912  -0.092  0.00  0.00    +0.025 A 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  23
ATOM     22  C   LIG    1       -3.986  -3.214  -0.394  0.00  0.00    +0.241 C 
ATOM     23  N   LIG    1       -4.108  -1.843  -0.431  0.00  0.00    -0.282 N 
ATOM     24  H   LIG    1       -5.038  -1.474  -0.586  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1       -2.952  -3.868  -0.330  0.00  0.00    -0.271 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -6.449  -3.529  -0.005  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -5.279  -3.945  -0.508  0.00  0.00    +0.060 C 
ENDBRANCH  22  27
ENDBRANCH   1  23
BRANCH   3  28
ATOM     28  C   LIG    1       -2.930   2.879  -0.461  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1       -4.100   3.185  -0.634  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -1.893   3.741  -0.340  0.00  0.00    -0.464 OA
ATOM     31  C   LIG    1       -2.260   5.117  -0.441  0.00  0.00    +0.280 C 
ENDBRANCH  28  30
ENDBRANCH   3  28
TORSDOF 6