REMARK  Name = BDB054395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.736  -0.973   0.610  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -1.038   0.161  -0.146  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.372   0.550  -0.356  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -3.432  -0.202   0.211  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -4.762   0.238  -0.029  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -5.018   1.377  -0.811  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.964   2.101  -1.356  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.088  -1.329   0.998  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.653   1.690  -1.128  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.758  -1.706   1.199  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.936  -0.493   0.516  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -6.050  -1.709   0.449  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -6.896   0.277   1.116  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -7.643  -0.217   1.587  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.728   1.240   1.369  0.00  0.00    +0.145 HD
ENDBRANCH   5  11
BRANCH   1  16
ATOM     16  O   LIG    1        0.552  -1.385   0.867  0.00  0.00    -0.455 OA
BRANCH  16  21
ATOM     17  C   LIG    1        5.091   0.708   0.083  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        4.733  -0.016  -1.060  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        3.533  -0.708  -1.155  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1        2.650  -0.671  -0.060  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1        1.436  -1.372  -0.194  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        1.157  -2.098  -1.348  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1        2.092  -2.066  -2.359  0.00  0.00    +0.115 A 
ATOM     24  C   LIG    1        3.005   0.058   1.096  0.00  0.00    +0.017 A 
ATOM     25  N   LIG    1        3.256  -1.386  -2.285  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        4.220   0.742   1.166  0.00  0.00    +0.046 A 
BRANCH  17  28
ATOM     27  C   LIG    1        6.729   2.059   1.155  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        6.307   1.329   0.010  0.00  0.00    -0.495 OA
ENDBRANCH  17  28
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 4