REMARK  Name = BDB065093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.953   0.852  -1.037  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        1.919  -0.164  -1.115  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        1.508  -1.501  -1.103  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.168  -1.860  -1.035  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.804  -0.853  -0.989  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -2.143  -1.293  -0.940  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1       -2.461  -2.595  -0.906  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1       -1.443  -3.466  -0.940  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1       -0.139  -3.159  -1.015  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -0.397   0.504  -0.979  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.494   3.186  -0.793  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.424   2.140  -1.035  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1       -1.784  -4.864  -0.906  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -2.064  -5.994  -0.880  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1       -3.179  -0.334  -0.922  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -3.073   0.245  -1.752  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -4.560  -0.835  -0.778  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -5.549   0.271  -1.190  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -6.007   1.103   0.006  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -6.651   0.309   1.055  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -6.274  -1.108   1.061  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -4.813  -1.300   0.665  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -8.093   0.522   1.258  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -8.353   1.915   1.846  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -8.954   0.300   0.009  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1        3.223   0.254  -1.174  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.268  -0.692  -1.404  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.798  -1.268  -0.090  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.460  -0.211   0.807  0.00  0.00    +0.087 C 
BRANCH  29  30
ATOM     30  N   LIG    1        6.672   0.396   0.231  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        7.747  -0.589   0.022  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        9.125   0.061  -0.085  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1        9.492   0.798   1.202  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1        8.261   1.303   1.951  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1        7.102   1.579   0.995  0.00  0.00    +0.084 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 10