REMARK  Name = BDB000167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.892  -0.600  -0.503  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.713  -1.778  -1.200  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.227  -1.864  -2.336  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.165  -3.164  -3.050  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.641  -3.313  -2.727  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.722  -2.826  -1.290  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.261   0.420  -0.812  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.721  -1.889  -1.928  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.129  -0.815  -1.174  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -1.433  -0.117  -0.915  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -2.508  -2.750  -2.318  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.475  -0.677  -0.643  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -3.771   0.773  -0.286  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -4.429   1.119   0.911  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -4.686   2.470   1.198  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.330   3.470   0.295  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.714   3.133  -0.905  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.832   0.076   1.923  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1       -4.924  -1.321   1.321  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -3.442   1.796  -1.195  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.654  -1.636   0.547  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1        1.812  -0.597   0.748  0.00  0.00    +0.164 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.621   0.913   0.026  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1        2.459   0.718   0.750  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1        1.831   1.512   0.796  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        4.237  -0.009  -0.507  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        4.045   2.395  -0.104  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        3.443   2.938  -1.399  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        6.058   3.794  -0.227  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        5.516   2.461  -0.034  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        5.905   1.811  -0.720  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1        1.036  -0.872   2.077  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1        0.417  -2.284   2.057  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -0.090   0.148   2.337  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        2.024  -0.813   3.263  0.00  0.00    +0.013 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7