REMARK  Name = BDB054396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.911   1.094   0.325  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        1.654   0.603  -0.117  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        0.520   0.876   0.690  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -0.746   0.404   0.305  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.912  -0.307  -0.885  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        0.188  -0.583  -1.689  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.662   1.626   1.869  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.902   2.126   2.263  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.452  -0.123  -1.316  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.027   1.865   1.490  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        4.483  -0.515  -0.554  0.00  0.00    -0.309 N 
ATOM     12  H   LIG    1        3.887  -1.214  -0.126  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.177   0.818  -0.396  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        4.901   1.740  -0.749  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.712  -0.946  -1.192  0.00  0.00    +0.132 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.953  -0.725  -0.327  0.00  0.00    +0.178 C 
BRANCH  16  18
ATOM     17  C   LIG    1        9.264  -1.168  -0.203  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        8.063  -1.396  -0.929  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  O   LIG    1       -2.124  -0.812  -1.299  0.00  0.00    -0.455 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.223   0.014  -1.171  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1       -4.343  -0.447  -0.453  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -5.452   0.417  -0.375  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1       -6.575   0.005   0.334  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -6.631  -1.239   0.967  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -5.534  -2.092   0.887  0.00  0.00    +0.046 A 
ATOM     26  N   LIG    1       -5.468   1.628  -0.961  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -4.380   2.019  -1.661  0.00  0.00    +0.115 A 
ATOM     28  C   LIG    1       -4.395  -1.704   0.183  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -3.243   1.254  -1.802  0.00  0.00    +0.066 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -7.686  -1.731   1.684  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -8.840  -0.904   1.781  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7