REMARK  Name = BDB064551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.531   0.413  -0.175  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -4.644  -0.989  -0.223  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.488  -1.776  -0.203  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -2.214  -1.182  -0.131  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.102   0.206  -0.074  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -0.824   0.764   0.020  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        0.357  -0.029   0.075  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        1.693   0.630   0.310  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        2.989   0.267  -0.201  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.064   1.182  -0.102  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        3.924   2.333   0.635  0.00  0.00    +0.168 A 
ATOM     12  O   LIG    1        4.878   3.273   0.847  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        4.167   4.195   1.703  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        2.807   3.779   1.967  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        2.753   2.621   1.261  0.00  0.00    +0.167 A 
ATOM     16  N   LIG    1        3.278  -0.989  -0.824  0.00  0.00    -0.269 N 
ATOM     17  C   LIG    1        4.422  -1.780  -0.586  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1        4.513  -2.907  -1.084  0.00  0.00    -0.276 OA
ATOM     19  C   LIG    1        5.502  -1.331   0.368  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1        2.178  -1.709  -1.434  0.00  0.00    +0.135 C 
ATOM     21  C   LIG    1        1.329  -2.297  -0.325  0.00  0.00    +0.141 C 
ATOM     22  C   LIG    1        1.651   1.807   1.123  0.00  0.00    +0.061 A 
ATOM     23  N   LIG    1        0.198  -1.377  -0.087  0.00  0.00    -0.344 N 
ATOM     24  C   LIG    1       -1.042  -1.936  -0.138  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1       -3.263   1.000  -0.101  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  27
ATOM     26  C   LIG    1       -5.656   2.530  -0.170  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -5.710   1.111  -0.203  0.00  0.00    -0.491 OA
ENDBRANCH   1  27
BRANCH   2  28
ATOM     28  O   LIG    1       -5.919  -1.485  -0.295  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.103  -2.893  -0.301  0.00  0.00    +0.277 C 
ENDBRANCH   2  28
TORSDOF 2