REMARK  Name = BDB056879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.166  -0.052  -0.669  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.850   1.184  -0.552  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.350   2.581  -0.620  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -1.417   3.531  -0.244  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.800   3.195  -0.646  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.264   1.816  -0.130  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.145   4.854   0.084  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -2.020   5.716   0.165  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        0.294   5.213   0.362  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.167   0.840  -0.336  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.218  -0.520  -0.305  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.010  -1.084  -0.520  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.339  -1.524   0.807  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1        3.497  -0.976  -0.195  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1        2.115  -0.818   0.079  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        1.258  -0.264  -0.912  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.769   0.118  -2.159  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.121  -0.037  -2.435  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.677  -1.222   1.352  0.00  0.00    +0.119 A 
ATOM     20  N   LIG    1        2.462  -1.730   2.328  0.00  0.00    -0.262 NA
ATOM     21  C   LIG    1        3.969  -0.573  -1.466  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.765  -1.868   2.031  0.00  0.00    +0.115 A 
BRANCH  13  24
ATOM     23  C   LIG    1        6.619  -0.469   0.926  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        5.825  -1.733   0.635  0.00  0.00    +0.034 C 
ENDBRANCH  13  24
ENDBRANCH   1  16
BRANCH  11  25
ATOM     25  C   LIG    1       -3.370  -1.373  -0.042  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -3.276  -2.037   1.339  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -4.045  -3.351   1.378  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -5.185  -3.263   0.530  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.835  -3.240  -0.855  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -3.583  -2.416  -1.141  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3