REMARK  Name = BDB016472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.484   1.498   0.884  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        0.547   2.746   1.492  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.777   3.595   1.491  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -0.610   3.171   2.114  0.00  0.00    +0.120 A 
ATOM      5  N   LIG    1       -1.752   2.466   2.142  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -1.729   1.289   1.494  0.00  0.00    +0.162 A 
ATOM      7  N   LIG    1       -0.649   0.775   0.875  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.956   0.473   1.531  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.544  -0.132   0.387  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.688  -0.943   0.557  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.269  -1.133   1.810  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.720  -0.517   2.925  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.579   0.273   2.784  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -2.987   0.070  -1.021  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -2.304  -1.205  -1.522  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -4.057   0.537  -2.017  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   6   8
BRANCH   1  17
ATOM     17  N   LIG    1        1.621   1.004   0.221  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        2.424   1.038   0.841  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.465  -0.324  -0.360  0.00  0.00    +0.138 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.601  -3.220  -0.174  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.783  -2.166  -0.860  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        3.552  -1.763  -0.323  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        2.791  -0.759  -0.942  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.289  -0.145  -2.100  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.520  -0.530  -2.630  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.265  -1.533  -2.011  0.00  0.00    +0.003 A 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5