REMARK  Name = BDB064550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.322   0.202  -0.274  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.280  -0.688  -0.600  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1        1.926  -0.318  -0.385  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.624   0.961   0.102  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.289   1.315   0.301  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.743   0.406   0.027  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -2.147   0.763   0.248  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.919   0.119   1.258  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -4.250   0.507   1.493  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1       -4.772   1.532   0.735  0.00  0.00    +0.168 A 
ATOM     11  O   LIG    1       -6.033   2.028   0.830  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1       -5.999   3.066  -0.174  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1       -4.732   3.139  -0.867  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1       -4.033   2.162  -0.233  0.00  0.00    +0.167 A 
ATOM     15  N   LIG    1       -2.376  -0.991   1.962  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -2.744  -0.958   2.921  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.781  -2.270   1.363  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -1.722  -2.778   0.391  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -1.480  -1.844  -0.787  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -2.728   1.808  -0.499  0.00  0.00    +0.061 A 
ATOM     21  N   LIG    1       -0.438  -0.832  -0.448  0.00  0.00    -0.346 N 
ATOM     22  C   LIG    1        2.664   1.853   0.383  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        0.858  -1.185  -0.644  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        3.997   1.475   0.203  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  26
ATOM     25  C   LIG    1        6.670   0.607  -0.001  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.607  -0.244  -0.417  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1        3.447  -1.969  -1.080  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.548  -2.188  -1.961  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 2