REMARK  Name = BDB044050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.832   0.010   1.715  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1       -0.488  -0.118   1.522  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1       -1.441  -0.389   2.629  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1       -1.227  -0.534   3.812  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1       -2.727  -0.449   1.945  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -2.491  -0.227   0.590  0.00  0.00    +0.152 A 
ATOM      7  C   LIG    1       -3.538  -0.229  -0.313  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -4.835  -0.455   0.186  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -5.054  -0.681   1.561  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.988  -0.681   2.461  0.00  0.00    +0.015 A 
ATOM     11  O   LIG    1       -1.157  -0.042   0.309  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.904   0.724  -1.201  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.625   1.247  -1.397  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.607   1.022  -0.464  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        1.849   0.256   0.681  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        3.140  -0.253   0.879  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.159  -0.026  -0.055  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.118   0.503  -2.035  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.803   1.019  -2.188  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   7  20
ATOM     20  C   LIG    1       -3.296   0.041  -1.748  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1       -2.395   0.774  -2.130  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -4.125  -0.581  -2.641  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -3.870  -0.484  -3.617  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -4.693  -1.377  -2.387  0.00  0.00    +0.145 HD
ENDBRANCH   7  20
TORSDOF 3