REMARK  Name = BDB030633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.286  -0.851  -1.132  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.116  -0.859  -0.382  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.115  -1.336  -0.991  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.156  -1.167   0.064  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1       -2.511   0.200   0.601  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -1.493  -0.669   1.301  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.031  -0.514   1.028  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        1.260  -1.196  -2.318  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.892   0.403   1.260  0.00  0.00    +0.094 A 
ATOM     10  C   LIG    1       -5.096   0.445   0.603  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1       -6.032   0.650   1.618  0.00  0.00    -0.220 N 
ATOM     12  C   LIG    1       -7.398   0.749   1.357  0.00  0.00    +0.114 A 
ATOM     13  C   LIG    1       -7.846   0.646   0.094  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.885   0.433  -0.979  0.00  0.00    +0.004 A 
ATOM     15  N   LIG    1       -5.386   0.727   2.810  0.00  0.00    -0.061 NA
ATOM     16  C   LIG    1       -5.563   0.337  -0.735  0.00  0.00    +0.030 A 
ATOM     17  N   LIG    1       -4.083   0.581   2.597  0.00  0.00    -0.133 NA
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1        4.740   0.071  -0.284  0.00  0.00    +0.039 A 
ATOM     19  N   LIG    1        4.037   0.231   0.877  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        4.386   0.536   1.779  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        2.733  -0.062   0.769  0.00  0.00    -0.169 NA
ATOM     22  C   LIG    1        2.567  -0.428  -0.516  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        3.812  -0.357  -1.206  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1        7.020  -0.590   0.498  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1        6.209   0.336  -0.408  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        6.537   1.802  -0.124  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 3