REMARK  Name = BDB020589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.027  -2.343  -0.261  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.062  -1.244  -0.077  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1        0.654   0.087   0.318  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -1.262  -1.494  -0.298  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1       -1.629  -2.797  -0.743  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -0.710  -3.830  -0.940  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.375  -4.961  -1.363  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.742  -4.636  -1.444  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.871  -3.317  -1.069  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        0.658  -3.566  -0.683  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.740  -2.093   1.383  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.970  -2.048   2.041  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        2.481  -2.209   0.042  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        3.331  -2.217  -0.839  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        4.059  -1.808   1.897  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        4.381   3.878   3.086  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        4.351   2.433   2.694  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        3.615   1.585   3.481  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        3.116   1.942   4.287  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        3.476   0.240   3.254  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        2.770  -0.459   3.977  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        4.208  -0.324   2.071  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.933   0.518   1.301  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        5.714   0.131   0.075  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        4.995   1.937   1.628  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -2.354  -0.453  -0.076  0.00  0.00    +0.162 C 
ATOM     27  C   LIG    1       -3.220  -0.765   1.148  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -3.172  -0.351  -1.244  0.00  0.00    -0.368 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.623   0.969  -1.552  0.00  0.00    +0.119 C 
ATOM     30  C   LIG    1       -4.897   0.834  -2.398  0.00  0.00    +0.031 C 
ATOM     31  C   LIG    1       -5.169   2.038  -3.304  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -4.518   3.310  -2.779  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -3.001   3.163  -2.657  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -2.550   1.740  -2.322  0.00  0.00    +0.031 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 6