REMARK  Name = BDB008584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.740  -0.389   1.306  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -2.815  -0.246   2.392  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.271  -0.332   0.615  0.00  0.00    -0.347 N 
ATOM      4  C   LIG    1        2.077  -0.452   1.300  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.399  -0.730   2.629  0.00  0.00    -0.000 A 
ATOM      6  C   LIG    1        1.357  -0.908   3.557  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.024  -0.803   3.135  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.299  -0.520   1.802  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        3.816  -0.771   2.723  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.744  -0.342   0.868  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        4.325  -0.527   1.469  0.00  0.00    +0.087 A 
BRANCH   3  12
ATOM     12  C   LIG    1        3.409  -0.073  -0.810  0.00  0.00    +0.124 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.243   1.401  -1.181  0.00  0.00    +0.049 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.383   2.284  -0.677  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.972   2.260  -2.446  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        5.653   1.821  -1.133  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1       -2.120  -1.434   0.320  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -2.860  -1.194  -0.850  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -3.067  -2.094  -1.673  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.382   0.234  -1.123  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -4.626   0.198  -1.843  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -5.072   1.515  -2.184  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -4.021   2.271  -3.009  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -2.723   2.355  -2.311  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -2.850   2.900  -1.458  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.312   0.981  -1.950  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -1.603  -2.781   0.518  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.533  -3.968   0.596  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.740  -3.566   1.797  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8