REMARK  Name = BDB038876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.144  -0.564   0.540  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -1.323   0.150   0.293  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -1.574   1.505   0.306  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -0.882   2.215   0.500  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -2.889   1.770   0.010  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.510   0.545  -0.225  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -4.880   0.538  -0.562  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -5.573   1.750  -0.647  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.923   2.958  -0.406  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.566   2.993  -0.073  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -2.521  -0.475  -0.059  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.543  -1.871  -0.177  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -1.341  -2.519   0.059  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -0.166  -1.915   0.401  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        3.525   0.353   0.558  0.00  0.00    +0.060 A 
ATOM     16  C   LIG    1        2.299  -0.231   0.205  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        1.124   0.055   0.923  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        1.212   0.927   2.021  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.428   1.514   2.380  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.580   1.231   1.648  0.00  0.00    +0.015 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.785   0.078  -0.185  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        5.855   0.599   0.089  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1        5.737  -1.134  -1.940  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        4.568  -0.813  -1.184  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH  13  25
ATOM     25  C   LIG    1       -1.267  -4.006  -0.052  0.00  0.00    +0.355 C 
ATOM     26  O   LIG    1       -2.194  -4.734  -0.357  0.00  0.00    -0.243 OA
BRANCH  25  27
ATOM     27  OXT LIG    1       -0.014  -4.436   0.237  0.00  0.00    -0.476 OA
ATOM     28  HXT LIG    1        0.543  -3.652   0.457  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  13  25
TORSDOF 5