REMARK  Name = BDB061214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.367   0.053  -0.109  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        2.310  -0.657   1.094  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        1.125  -1.099   1.667  0.00  0.00    +0.117 A 
ATOM      4  N   LIG    1        1.392  -1.774   2.827  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.706  -1.773   3.010  0.00  0.00    -0.065 NA
ATOM      6  C   LIG    1       -0.096  -0.830   1.034  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -0.096  -0.104  -0.171  0.00  0.00    -0.034 A 
ATOM      8  N   LIG    1        3.256  -1.102   1.979  0.00  0.00    -0.243 N 
ATOM      9  C   LIG    1        4.682  -0.932   1.907  0.00  0.00    +0.175 C 
ATOM     10  C   LIG    1        1.131   0.324  -0.719  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        3.637   0.905  -1.923  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.592   0.424  -0.583  0.00  0.00    -0.493 OA
ENDBRANCH   1  12
BRANCH   7  13
ATOM     13  C   LIG    1       -1.399   0.196  -0.920  0.00  0.00    +0.060 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.459   0.818  -0.009  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1       -3.522   0.086   0.545  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.454   0.704   1.382  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.337   2.058   1.684  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.285   2.798   1.152  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.353   2.183   0.315  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
BRANCH  13  20
ATOM     20  C   LIG    1       -1.881  -1.054  -1.685  0.00  0.00    +0.133 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.990  -1.365  -2.866  0.00  0.00    +0.306 C 
ATOM     22  O   LIG    1       -0.365  -0.535  -3.510  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -0.985  -2.677  -3.196  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1       -1.528  -3.245  -2.617  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   7  13
TORSDOF 6