REMARK  Name = BDB019113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.867  -0.586  -0.290  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.281   0.444  -1.071  0.00  0.00    +0.097 A 
ATOM      3  N   LIG    1        0.954   0.734  -0.815  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.585   1.721  -1.696  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1        1.585   2.099  -2.462  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1        0.192   0.082   0.177  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.750  -0.866   0.881  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.644   1.300  -2.088  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        2.068  -1.184   0.621  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.296   0.848   0.806  0.00  0.00    +0.150 C 
ATOM     11  N   LIG    1        5.282  -0.395   0.073  0.00  0.00    -0.333 N 
ATOM     12  C   LIG    1        4.191  -1.074  -0.422  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        4.726  -2.218  -0.983  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1        6.087  -2.248  -0.845  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        6.395  -1.135  -0.220  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1       -1.119   0.463   0.373  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.378   1.407   0.113  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.876  -0.031   1.512  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.322   0.332   1.341  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.147  -0.314   0.424  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.834  -1.384  -0.554  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.256  -1.767  -0.965  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.141  -0.654  -0.694  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.473   0.066   0.261  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.039   1.094   0.988  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.234   1.752   1.917  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.896   1.371   2.084  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.147   2.042   2.971  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   8  29
ATOM     29  C   LIG    1        3.922   1.435  -2.718  0.00  0.00    +0.121 C 
ATOM     30  N   LIG    1        4.976   1.561  -3.191  0.00  0.00    -0.189 NA
ENDBRANCH   8  29
TORSDOF 5