REMARK  Name = BDB055654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.852  -0.402  -1.291  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1        1.976  -0.116  -0.466  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.562  -0.311   0.852  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.408  -0.120   1.950  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.721   0.287   1.692  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        4.172   0.495   0.384  0.00  0.00    +0.060 A 
ATOM      7  N   LIG    1        0.243  -0.705   0.811  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.305  -0.927   1.633  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        3.306   0.296  -0.704  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.209  -0.778  -0.490  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -1.607  -1.198  -0.831  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1       -2.635  -0.121  -0.587  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -3.587  -0.583   0.322  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -4.660   0.182   0.727  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.772   1.465   0.185  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.823   1.942  -0.738  0.00  0.00    +0.000 A 
ATOM     17  N   LIG    1       -3.273  -1.869   0.726  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -3.799  -2.426   1.383  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -2.744   1.146  -1.134  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -2.109  -2.323   0.113  0.00  0.00    +0.231 C 
ATOM     21  O   LIG    1       -1.582  -3.402   0.333  0.00  0.00    -0.274 OA
ENDBRANCH  10  11
BRANCH   1  23
ATOM     22  O   LIG    1       -0.207  -0.146  -3.303  0.00  0.00    -0.143 OA
ATOM     23  N   LIG    1        0.888  -0.306  -2.756  0.00  0.00    -0.028 NA
ENDBRANCH   1  23
BRANCH   6  24
ATOM     24  C   LIG    1        5.578   0.927   0.191  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        6.390   1.125   1.075  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.902   1.091  -1.104  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.841   1.369  -1.079  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4