REMARK  Name = BDB056871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218  -0.351   0.103  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1        0.298   0.945  -0.155  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.393   2.246  -0.362  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.569   3.282  -0.786  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        1.932   3.225  -0.209  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        2.636   1.871  -0.446  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1        0.012   4.442  -1.309  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -1.200   4.575  -1.482  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        0.954   5.559  -1.678  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        1.666   0.781  -0.189  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1        1.908  -0.543   0.014  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1        0.776  -1.246   0.222  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1       -3.724  -0.465   1.443  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1       -4.318  -1.396   0.584  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.583  -2.019  -0.439  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -2.219  -1.703  -0.617  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -1.566  -2.372  -1.669  0.00  0.00    +0.119 A 
ATOM     18  N   LIG    1       -2.141  -3.272  -2.505  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -3.442  -3.539  -2.292  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -1.617  -0.748   0.247  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.193  -2.950  -1.290  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -2.375  -0.144   1.265  0.00  0.00    +0.014 A 
BRANCH  13  24
ATOM     23  C   LIG    1       -5.138   1.516   2.047  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -4.532   0.205   2.526  0.00  0.00    +0.032 C 
ENDBRANCH  13  24
ENDBRANCH   1  20
BRANCH  11  25
ATOM     25  C   LIG    1        3.193  -1.230   0.027  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        3.219  -2.440  -0.909  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.604  -3.079  -0.910  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1        5.346  -2.804   0.281  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        4.530  -2.835   1.447  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1        3.602  -1.627   1.452  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3