REMARK  Name = BDB020854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.894  -0.033   0.773  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.248  -0.301  -0.466  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.125  -0.271  -0.477  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.488  -0.623  -1.743  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.584  -0.802  -2.482  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.894   0.031   0.650  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.305   0.255   1.794  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.682  -0.602  -1.674  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.077   0.223   1.820  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.452   1.707  -0.528  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1        5.634   0.517  -0.006  0.00  0.00    +0.068 C 
ATOM     12  O   LIG    1        6.124   0.247   1.318  0.00  0.00    -0.370 OA
ATOM     13  C   LIG    1        5.471  -0.831   1.988  0.00  0.00    +0.188 C 
ATOM     14  C   LIG    1        3.982  -0.824   1.817  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        3.345  -0.023   0.943  0.00  0.00    -0.034 C 
ATOM     16  C   LIG    1        4.145   0.920   0.074  0.00  0.00    +0.070 C 
ATOM     17  C   LIG    1        5.868  -0.678  -0.945  0.00  0.00    +0.041 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -2.270   0.070   0.584  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.611   0.096   1.547  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.918   1.165  -0.137  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.408   1.073   0.020  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.152  -0.004  -0.454  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.713  -1.258  -1.114  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -6.069  -1.780  -1.589  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -7.111  -1.191  -0.779  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.530  -0.057  -0.275  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -7.230   0.941   0.371  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.509   2.038   0.841  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.120   2.096   0.662  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.463   3.166   1.132  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4