REMARK  Name = BDB046088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.185  -1.160  -1.746  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        4.049  -0.756  -1.499  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1        3.752  -0.154  -0.175  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.446  -0.005   0.349  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.305   0.509   1.639  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        3.389   0.904   2.432  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        4.668   0.757   1.900  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.964   0.531   1.928  0.00  0.00    -0.357 N 
ATOM      9  H   LIG    1        0.576   0.866   2.800  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.224   0.036   0.879  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        1.122  -0.262  -0.141  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        0.809  -0.755  -1.517  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1        1.801  -0.238  -2.554  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.849   0.231   0.624  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        3.097  -0.879  -2.478  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        3.484  -1.261  -3.333  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -1.290  -0.063   1.014  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.899  -1.252   0.266  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1       -1.556  -2.558   0.667  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.081  -3.675   0.014  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.962  -3.508  -1.050  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.316  -2.226  -1.462  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.790  -1.107  -0.811  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  C   LIG    1       -1.996   1.280   0.808  0.00  0.00    -0.034 A 
ATOM     25  C   LIG    1       -1.555   2.228  -0.131  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.236   3.436  -0.302  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.372   3.711   0.455  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.832   2.780   1.382  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.152   1.573   1.556  0.00  0.00    +0.004 A 
ENDBRANCH  17  24
ENDBRANCH  10  17
TORSDOF 3