REMARK  Name = BDB054356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384  -0.655  -0.904  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.886  -0.761  -0.327  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1       -3.776  -2.064  -0.741  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1       -2.447  -2.221  -1.018  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.015  -3.544  -1.498  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1       -1.818  -1.021  -0.766  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1       -2.742  -0.102  -0.323  0.00  0.00    -0.214 NA
BRANCH   2  11
ATOM      8  C   LIG    1       -6.823   2.929   1.312  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.664   1.518   0.830  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -5.398   1.030   0.471  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -5.221  -0.296   0.045  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -6.341  -1.138  -0.005  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -7.603  -0.667   0.364  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.762   0.653   0.785  0.00  0.00    +0.003 A 
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1        0.348  -0.701   0.439  0.00  0.00    +0.006 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.828  -0.342   0.280  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.546  -0.355   1.636  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.051  -0.030   1.592  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        4.319   1.427   1.216  0.00  0.00    +0.169 C 
ATOM     20  O   LIG    1        5.641   1.552   0.685  0.00  0.00    -0.340 OA
ATOM     21  C   LIG    1        5.758   0.837  -0.566  0.00  0.00    +0.267 C 
ATOM     22  C   LIG    1        7.238   0.508  -0.768  0.00  0.00    +0.087 C 
ATOM     23  O   LIG    1        4.999  -0.367  -0.604  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1        4.852  -0.959   0.680  0.00  0.00    +0.169 C 
BRANCH  21  25
ATOM     25  C   LIG    1        5.361   1.822  -1.714  0.00  0.00    +0.365 C 
ATOM     26  O   LIG    1        4.964   1.510  -2.827  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.518   3.125  -1.338  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        5.789   3.153  -0.392  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8