REMARK  Name = BDB052962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.762   0.848   0.112  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -2.309  -0.441   0.168  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -1.461  -1.523  -0.092  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -0.112  -1.351  -0.389  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1        0.510  -2.565  -0.590  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.436  -3.461  -0.436  0.00  0.00    +0.200 A 
ATOM      7  C   LIG    1        0.452  -0.054  -0.433  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -1.643  -2.886  -0.135  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1       -0.408   1.035  -0.185  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.891  -3.606   0.094  0.00  0.00    +0.083 C 
ATOM     11  C   LIG    1       -3.334  -4.378  -1.149  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -2.797  -4.522   1.315  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   7  13
ATOM     13  N   LIG    1        1.818   0.139  -0.745  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1        2.209  -0.793  -0.925  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.571   0.787   0.325  0.00  0.00    +0.137 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.046   0.736   0.001  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        4.910  -0.102   0.720  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        6.272  -0.146   0.412  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.781   0.642  -0.619  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.930   1.471  -1.347  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.569   1.517  -1.041  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   1  22
ATOM     22  O   LIG    1       -2.669   1.845   0.367  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.203   3.191   0.272  0.00  0.00    +0.229 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.986   5.578   0.492  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -3.381   4.114   0.568  0.00  0.00    +0.038 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7