REMARK  Name = BDB023965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.785   4.713  -1.142  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.485   4.102  -0.686  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.453   2.725  -0.508  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.140   2.155  -0.146  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.293   0.758   0.342  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.664  -0.129   0.893  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.100  -1.302   1.216  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.199  -1.178   0.869  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.475   0.045   0.330  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.760   0.600  -0.160  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.461   1.805  -1.078  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.506   4.821  -0.478  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.079   0.123   1.134  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        3.019   0.198   0.090  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1        2.677  -0.009  -1.366  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1        3.731  -0.873  -2.062  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        5.183  -0.481  -1.759  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1        5.339   0.653  -0.747  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        4.363   0.510   0.392  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1        4.758   0.726   1.716  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.829   0.617   2.748  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.498   0.317   2.459  0.00  0.00    +0.010 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1       -2.068  -2.332   1.069  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -2.453  -2.998  -0.252  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -3.288  -4.249   0.002  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1       -4.073  -4.184   1.193  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -4.494  -2.868   1.525  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1       -3.291  -2.037   1.949  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2