REMARK  Name = BDB063099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.250   0.689  -0.694  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1       -2.149  -0.113  -0.459  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.161   0.707   0.093  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        0.087   0.146   0.440  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        0.312  -1.219   0.236  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.687  -2.010  -0.331  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -1.698   2.022   0.171  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -1.933  -1.480  -0.683  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.981   1.982  -0.323  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -4.493   0.253  -1.311  0.00  0.00    +0.242 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -5.400  -0.386   0.881  0.00  0.00    -0.249 OA
ATOM     12  C   LIG    1       -5.427  -0.411  -0.337  0.00  0.00    +0.325 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -6.424  -1.072  -0.968  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1       -6.961  -1.441  -0.234  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        1.475  -1.886   0.517  0.00  0.00    -0.487 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.385  -1.280   1.439  0.00  0.00    +0.264 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.405  -0.379   0.777  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1        3.976   0.677   1.503  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        4.939   1.501   0.919  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.350   1.273  -0.393  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.802   0.218  -1.119  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.840  -0.607  -0.536  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 6