REMARK  Name = BDB061178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.836   0.579   0.131  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -2.438  -0.752   0.462  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1       -1.096  -0.971   0.678  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.978  -2.304   0.945  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -2.164  -2.869   0.934  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.122   0.033   0.605  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.491   1.244   0.297  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -3.083  -1.891   0.637  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1       -1.835   1.485   0.072  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1       -4.180   3.240  -0.190  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.739   2.154  -0.227  0.00  0.00    +0.220 C 
ATOM     12  N   LIG    1       -4.177   0.872  -0.108  0.00  0.00    -0.267 N 
ATOM     13  C   LIG    1       -5.223  -0.133  -0.138  0.00  0.00    +0.114 C 
ATOM     14  C   LIG    1       -6.402   0.565  -0.783  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -6.237   2.005  -0.348  0.00  0.00    +0.098 C 
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1        1.196  -0.290   0.854  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.377  -1.093   1.447  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.200   0.751   1.008  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.565   0.128   0.983  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.150  -0.334  -0.192  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.614  -0.371  -1.575  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        4.899  -0.717  -2.328  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        5.822  -1.356  -1.416  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        5.400  -0.939  -0.181  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        6.122  -1.117   0.981  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.560  -0.656   2.172  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.298  -0.045   2.164  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1        3.780   0.362   3.331  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4