REMARK  Name = BDB055398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.978   0.659   1.637  0.00  0.00    +0.211 A 
ATOM      2  C   LIG    1       -1.073  -0.136   0.919  0.00  0.00    +0.209 A 
ATOM      3  C   LIG    1       -0.204   0.441  -0.018  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1       -0.258   1.812  -0.273  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        0.680   2.367  -1.275  0.00  0.00    +0.197 A 
ATOM      6  C   LIG    1        1.600   1.411  -1.917  0.00  0.00    +0.098 A 
ATOM      7  C   LIG    1        1.560   0.118  -1.574  0.00  0.00    +0.139 A 
ATOM      8  O   LIG    1        0.739   3.545  -1.598  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1       -1.191   2.596   0.417  0.00  0.00    +0.177 A 
ATOM     10  O   LIG    1        0.678  -0.405  -0.647  0.00  0.00    -0.451 OA
ATOM     11  C   LIG    1       -2.072   2.024   1.351  0.00  0.00    +0.208 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.455  -0.883  -2.191  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        1.968  -2.164  -2.497  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.800  -3.128  -3.071  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.128  -2.821  -3.336  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        4.640  -1.565  -3.033  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.805  -0.601  -2.458  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1        4.905  -3.791  -3.896  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        5.800  -3.436  -4.026  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  21
ATOM     20  C   LIG    1       -2.075  -0.004   3.831  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.779   0.083   2.589  0.00  0.00    -0.488 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  O   LIG    1       -0.972  -1.481   1.183  0.00  0.00    -0.488 OA
ATOM     23  C   LIG    1       -1.967  -2.201   0.454  0.00  0.00    +0.277 C 
ENDBRANCH   2  22
BRANCH   9  24
ATOM     24  O   LIG    1       -1.283   3.946   0.201  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1       -1.963   4.283   0.816  0.00  0.00    +0.292 HD
ENDBRANCH   9  24
BRANCH  11  26
ATOM     26  O   LIG    1       -2.931   2.911   1.956  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1       -4.262   2.428   2.130  0.00  0.00    +0.277 C 
ENDBRANCH  11  26
TORSDOF 6