REMARK  Name = BDB023968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.396   4.622  -0.040  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.065   4.424  -0.356  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.404   3.357  -1.173  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.498   2.229  -1.479  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.090   0.992  -0.886  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.471  -0.284  -0.630  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.434  -1.098  -0.066  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.557  -0.358   0.046  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        1.400   0.897  -0.457  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.394   2.009  -0.509  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.835   3.112  -1.437  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.904   5.202   0.099  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.829  -0.740  -0.907  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.687  -1.213   0.127  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.992  -1.618  -0.171  0.00  0.00    +0.077 A 
ATOM     16  N   LIG    1       -4.852  -2.055   0.758  0.00  0.00    -0.215 NA
ATOM     17  C   LIG    1       -4.423  -2.120   2.021  0.00  0.00    +0.213 A 
ATOM     18  N   LIG    1       -3.216  -1.746   2.437  0.00  0.00    -0.222 NA
ATOM     19  C   LIG    1       -4.420  -1.557  -1.492  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -3.589  -1.106  -2.519  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.368  -1.313   1.481  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.294  -0.696  -2.227  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1       -5.317  -2.556   2.976  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -5.056  -2.186   3.879  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -6.262  -2.399   2.659  0.00  0.00    +0.145 HD
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  26
ATOM     26  C   LIG    1        2.747  -0.935   0.659  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        2.481  -1.452   2.077  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        3.745  -2.078   2.643  0.00  0.00    +0.162 C 
ATOM     29  O   LIG    1        4.228  -3.109   1.784  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        4.571  -2.633   0.485  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1        3.357  -2.038  -0.211  0.00  0.00    +0.055 C 
ENDBRANCH   8  26
TORSDOF 3