REMARK  Name = BDB018411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.160   4.166  -2.023  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.316   2.880  -1.362  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.584   2.332  -1.230  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.623   2.849  -1.627  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.646   1.016  -0.551  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.538   0.414  -0.079  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.223   1.060  -0.235  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.185   2.250  -0.871  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.757  -0.916   0.531  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.374  -1.032   1.785  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.570  -2.289   2.359  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.153  -3.437   1.686  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.541  -3.330   0.438  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.344  -2.075  -0.140  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -0.013   0.468   0.264  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.189   0.391  -0.409  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        2.099  -0.217   0.429  0.00  0.00    -0.238 N 
ATOM     18  N   LIG    1        1.498  -0.598   1.590  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        0.243  -0.158   1.493  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.487  -0.501   0.226  0.00  0.00    +0.083 A 
ATOM     21  C   LIG    1        4.283   0.095  -0.770  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        5.633  -0.289  -0.898  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.199  -1.236  -0.046  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.426  -1.806   0.956  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.086  -1.440   1.095  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1        3.848   1.148  -1.641  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1        3.514   2.003  -2.351  0.00  0.00    -0.191 NA
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4