REMARK  Name = BDB016485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.169   3.691  -2.500  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -2.361   2.442  -1.700  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.624   2.148  -0.557  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.847   1.029   0.150  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.797   0.184  -0.294  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.542   0.369  -1.395  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -3.305   1.503  -2.071  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.992  -1.062   0.459  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.219  -1.419   1.075  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.312  -2.663   1.735  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.220  -3.527   1.815  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.011  -3.170   1.234  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.902  -1.953   0.562  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.437  -0.497   1.040  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.506  -1.045   0.090  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -6.027  -0.249   2.434  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1       -0.668   3.078  -0.111  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -0.050   3.314  -0.881  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.095   2.727   1.083  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.365   1.990   0.722  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.479   2.681   0.228  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.645   1.994  -0.121  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.724   0.601   0.015  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        2.604  -0.088   0.501  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        1.439   0.599   0.851  0.00  0.00    +0.005 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.999  -0.127  -0.375  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        5.575  -0.989   0.766  0.00  0.00    +0.089 C 
ATOM     28  N   LIG    1        6.864  -1.617   0.448  0.00  0.00    -0.315 NA
ATOM     29  H   LIG    1        7.627  -1.068   0.843  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        7.098  -1.812  -0.983  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        5.816  -2.115  -1.751  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1        4.807  -0.968  -1.651  0.00  0.00    +0.010 C 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6