REMARK  Name = BDB054401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.123  -0.471   1.707  0.00  0.00    -0.455 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -4.700  -0.208  -0.444  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -3.946   0.732   0.278  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -2.686   0.368   0.756  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.165  -0.924   0.521  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.924  -1.861  -0.202  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1       -2.485  -3.107  -0.457  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1       -1.272  -3.473   0.012  0.00  0.00    +0.115 A 
ATOM      9  C   LIG    1       -0.446  -2.637   0.730  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -0.896  -1.342   0.967  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1       -4.175  -1.486  -0.671  0.00  0.00    +0.077 A 
BRANCH   2  13
ATOM     12  C   LIG    1       -6.734  -0.718  -1.594  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -5.929   0.216  -0.887  0.00  0.00    -0.491 OA
ENDBRANCH   2  13
BRANCH   3  14
ATOM     14  O   LIG    1       -4.522   1.963   0.458  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1       -3.796   2.930   1.204  0.00  0.00    +0.277 C 
ENDBRANCH   3  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  C   LIG    1        1.120  -0.158   1.202  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        1.355   0.109  -0.148  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.640   0.457  -0.599  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        3.716   0.559   0.322  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1        4.996   0.906  -0.189  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        5.187   1.151  -1.560  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.119   1.048  -2.443  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.437   0.298   1.686  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        2.858   0.703  -1.964  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        2.155  -0.046   2.121  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  C   LIG    1        6.181   1.044   0.699  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1        6.150   1.654   1.758  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1        7.327   0.431   0.269  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        7.326  -0.243  -0.484  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        8.108   0.426   0.913  0.00  0.00    +0.145 HD
ENDBRANCH  20  26
ENDBRANCH   1  16
TORSDOF 5