REMARK  Name = BDB056477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.406  -1.256   1.448  0.00  0.00    +0.060 C 
ATOM      2  C   LIG    1        3.322  -1.827   2.462  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1        4.518  -1.625   2.567  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1        2.592  -2.642   3.249  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1        2.967  -3.179   4.013  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        1.318  -2.705   2.816  0.00  0.00    +0.253 C 
ATOM      7  O   LIG    1        0.441  -3.402   3.293  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.195  -1.797   1.657  0.00  0.00    +0.078 C 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1        4.709   0.451  -2.549  0.00  0.00    +0.149 C 
ATOM     10  N   LIG    1        3.885   0.409  -1.362  0.00  0.00    -0.349 N 
ATOM     11  C   LIG    1        3.222   1.492  -0.823  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        2.557   1.035   0.321  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        1.805   1.960   1.077  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.731   3.296   0.669  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.398   3.723  -0.475  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.842  -0.357   0.442  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.155   2.831  -1.240  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        3.665  -0.712  -0.606  0.00  0.00    +0.095 A 
ENDBRANCH   1  16
BRANCH   8  19
ATOM     19  C   LIG    1       -0.021  -1.603   0.943  0.00  0.00    +0.108 A 
ATOM     20  C   LIG    1       -0.880  -2.634   0.451  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -1.902  -1.961  -0.206  0.00  0.00    +0.159 A 
ATOM     22  N   LIG    1       -2.969  -2.493  -0.836  0.00  0.00    -0.236 NA
ATOM     23  C   LIG    1       -2.979  -3.846  -0.795  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -2.019  -4.644  -0.186  0.00  0.00    +0.020 A 
ATOM     25  N   LIG    1       -1.607  -0.635  -0.087  0.00  0.00    -0.244 N 
ATOM     26  C   LIG    1       -0.936  -4.038   0.453  0.00  0.00    +0.015 A 
ATOM     27  N   LIG    1       -0.502  -0.385   0.639  0.00  0.00    -0.168 NA
BRANCH  25  28
ATOM     28  C   LIG    1       -2.374   0.465  -0.631  0.00  0.00    +0.167 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.459   0.898   0.338  0.00  0.00    +0.146 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.245   1.990  -0.196  0.00  0.00    -0.335 N 
ATOM     31  C   LIG    1       -5.391   1.867  -0.928  0.00  0.00    +0.199 A 
ATOM     32  N   LIG    1       -5.863   3.044  -1.274  0.00  0.00    -0.244 NA
ATOM     33  C   LIG    1       -4.994   3.957  -0.734  0.00  0.00    +0.130 A 
ATOM     34  C   LIG    1       -3.979   3.323  -0.056  0.00  0.00    +0.107 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   8  19
TORSDOF 5