REMARK  Name = BDB058290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.577  -3.759   1.126  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.851  -2.562   1.130  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -0.007  -1.520   0.840  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        0.429  -0.597   0.823  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.364  -1.583   0.477  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.992  -0.372   0.155  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.340  -0.343  -0.213  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.066  -1.533  -0.275  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1       -3.457  -2.738   0.067  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -2.107  -2.764   0.436  0.00  0.00    +0.027 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -5.404  -1.576  -0.593  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.818  -0.846  -1.683  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1       -5.183  -0.922  -2.925  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -5.675  -0.182  -4.001  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.806   0.619  -3.839  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.453   0.675  -2.604  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.963  -0.064  -1.527  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        2.238  -2.094   1.544  0.00  0.00    +0.111 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.854  -1.075   0.580  0.00  0.00    +0.094 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.202   0.254   0.657  0.00  0.00    -0.297 NA
ATOM     21  C   LIG    1        2.657   1.042   1.826  0.00  0.00    +0.119 C 
ATOM     22  C   LIG    1        4.031   1.663   1.694  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        4.610   1.883   0.431  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        5.870   2.491   0.339  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.541   2.900   1.490  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.963   2.701   2.741  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.911   1.409  -0.817  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        4.713   2.089   2.844  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.440   1.048  -0.567  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6