REMARK  Name = BDB056896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.534  -0.385   0.070  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.527   0.547   0.131  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.490   2.026   0.289  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -1.835   2.595   0.090  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.972   1.815   0.608  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.039   0.386   0.027  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -2.039   3.944  -0.173  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -3.149   4.475  -0.115  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -0.832   4.763  -0.559  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.680  -0.206   0.006  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -1.285  -1.499  -0.183  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1        0.063  -1.625  -0.105  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        3.800   0.732   1.529  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.685   0.467   0.484  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.232  -0.099  -0.722  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        2.863  -0.405  -0.888  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.501  -0.962  -2.127  0.00  0.00    +0.119 A 
ATOM     18  N   LIG    1        3.352  -1.211  -3.153  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        4.646  -0.907  -2.946  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        1.966  -0.124   0.176  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        5.126  -0.359  -1.769  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        2.448   0.437   1.369  0.00  0.00    +0.056 A 
BRANCH  13  24
ATOM     23  C   LIG    1        5.502   1.524   2.992  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.123   1.280   2.739  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH   1  20
BRANCH  11  25
ATOM     25  C   LIG    1       -2.030  -2.728  -0.461  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -3.131  -2.627  -1.526  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -4.545  -2.540  -0.973  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.750  -3.448   0.101  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -3.891  -3.184   1.204  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -2.453  -3.462   0.817  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3