REMARK  Name = BDB055160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.828   1.127  -0.565  0.00  0.00    +0.264 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.710  -0.678  -1.227  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -4.282  -0.380   0.064  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.028   0.206   0.278  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.185   0.512  -0.798  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -2.610   0.198  -2.092  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.862  -0.386  -2.300  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -5.892  -1.246  -1.599  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -8.133  -1.958  -1.528  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -6.913  -1.588  -0.660  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.519  -2.849   0.125  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -7.393  -0.464   0.278  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1       -7.558  -0.545   1.486  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.645   0.702  -0.355  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1       -7.916   1.314   0.358  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  O   LIG    1        0.131   0.074  -0.515  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.435   0.425  -0.308  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.330  -0.646  -0.289  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        3.697  -0.430  -0.085  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        4.191   0.864   0.118  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.289   1.932   0.085  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.920   1.720  -0.123  0.00  0.00    +0.048 A 
BRANCH  20  23
ATOM     23  N   LIG    1        5.559   1.142   0.303  0.00  0.00    -0.149 NA
ATOM     24  N   LIG    1        6.080   0.363   1.130  0.00  0.00    -0.149 NA
BRANCH  24  25
ATOM     25  C   LIG    1        7.443   0.662   1.323  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1        8.351   0.751   0.258  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        9.702   1.018   0.492  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       10.160   1.187   1.797  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.271   1.087   2.866  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        7.920   0.822   2.628  0.00  0.00    +0.029 A 
ENDBRANCH  24  25
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9