REMARK  Name = BDB012852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.935  -1.773   1.663  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.558  -1.866   1.538  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.698  -1.152   0.594  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1        0.521  -2.068   0.417  0.00  0.00    +0.056 C 
ATOM      5  C   LIG    1        0.612  -2.750   1.785  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -0.851  -2.990   2.127  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -3.571  -2.659   2.232  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.022   0.826   0.182  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.934   1.544   0.487  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.115   0.658   1.077  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.241   1.000   1.460  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.594  -0.622   1.098  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.863  -0.527   0.559  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.846   2.535   0.414  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.217   1.458  -0.472  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.875   2.026  -1.851  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        1.788  -1.362   0.018  0.00  0.00    +0.046 A 
ATOM     18  N   LIG    1        2.015  -0.132   0.530  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        3.174   0.487   0.186  0.00  0.00    +0.119 A 
ATOM     20  C   LIG    1        4.148  -0.052  -0.652  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.886  -1.330  -1.154  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        2.704  -1.993  -0.818  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.379   0.678  -0.985  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        6.642   0.083  -0.822  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.813   0.777  -1.137  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.742   2.080  -1.622  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.502   2.689  -1.793  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.331   1.994  -1.476  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH   4  17
TORSDOF 4