REMARK  Name = BDB020870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.936   0.153  -0.245  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.325   0.075   1.046  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.032  -0.129   1.092  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.346  -0.234   2.416  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.731  -0.044   3.144  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.830  -0.231  -0.049  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.280  -0.181  -1.231  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.786   0.155   2.280  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.088   0.009  -1.292  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.323   0.516   1.602  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        5.791   0.053   0.241  0.00  0.00    +0.083 C 
ATOM     12  O   LIG    1        6.099   1.115  -0.680  0.00  0.00    -0.370 OA
ATOM     13  C   LIG    1        5.314   1.096  -1.867  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1        3.839   1.316  -1.537  0.00  0.00    +0.064 C 
ATOM     15  C   LIG    1        3.376   0.373  -0.450  0.00  0.00    -0.034 C 
ATOM     16  C   LIG    1        4.303  -0.202   0.342  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        6.527  -1.222  -0.185  0.00  0.00    +0.046 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -2.191  -0.408   0.056  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.533  -0.713  -0.854  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.018   0.710   0.501  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.438   0.252   0.650  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.332   0.208  -0.416  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.138   0.534  -1.849  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -6.597   0.532  -2.307  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -7.377  -0.265  -1.388  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.627  -0.267  -0.241  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -7.090  -0.719   0.979  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.212  -0.679   2.062  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.907  -0.201   1.891  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.086  -0.187   2.951  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4