REMARK  Name = BDB056873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.046  -0.074   0.471  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.682   1.142   0.516  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.256   2.519   0.877  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -1.419   3.431   0.902  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.489   3.198  -0.092  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.073   1.770  -0.030  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.362   4.682   1.505  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -2.231   5.540   1.348  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -0.181   4.963   2.401  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.952   0.808   0.098  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -1.949  -0.532  -0.141  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -0.733  -1.085   0.055  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.723  -1.133  -0.804  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        3.767  -0.798   0.183  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        2.410  -0.635  -0.189  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.451  -0.287   0.803  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.841  -0.122   2.140  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.170  -0.288   2.507  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.108  -0.826  -1.547  0.00  0.00    +0.120 A 
ATOM     20  N   LIG    1        3.004  -1.137  -2.513  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        4.119  -0.618   1.540  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.285  -1.284  -2.115  0.00  0.00    +0.156 A 
BRANCH  13  24
ATOM     23  C   LIG    1        6.983  -1.662  -1.364  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        6.023  -1.278  -0.387  0.00  0.00    -0.493 OA
ENDBRANCH  13  24
ENDBRANCH   1  16
BRANCH  11  25
ATOM     25  C   LIG    1       -3.056  -1.366  -0.589  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -2.913  -1.734  -2.073  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -3.618  -3.046  -2.391  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.774  -3.178  -1.569  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.446  -3.417  -0.199  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -3.235  -2.618   0.272  0.00  0.00    +0.055 C 
ENDBRANCH  11  25
TORSDOF 3