REMARK  Name = BDB045751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.175   3.184   0.001  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.741   2.037   0.007  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        1.611   0.880  -0.302  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.073  -0.420  -0.297  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        1.960  -1.472  -0.600  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        3.309  -1.236  -0.893  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.811   0.060  -0.891  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.363  -0.618   0.020  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.171   0.504   0.321  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1       -2.538   0.330   0.635  0.00  0.00    +0.150 A 
ATOM     11  C   LIG    1       -3.111  -0.950   0.643  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.326  -2.056   0.342  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -0.973  -1.890   0.037  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        2.963   1.120  -0.595  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -0.572   1.779   0.300  0.00  0.00    -0.320 N 
ATOM     16  H   LIG    1       -1.141   2.606   0.481  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  17
ATOM     17  N   LIG    1       -3.410   1.464   0.976  0.00  0.00    +0.058 N 
ATOM     18  O   LIG    1       -4.496   1.212   1.517  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -3.018   2.608   0.705  0.00  0.00    -0.126 OA
ENDBRANCH  10  17
TORSDOF 1