REMARK  Name = BDB013152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.627  -0.435  -0.556  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.115   0.400   0.281  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.486   0.357   0.370  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -1.880   1.256   1.254  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.766   1.916   1.722  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.175  -0.582  -0.463  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -1.372  -1.326  -1.262  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.278   1.408   1.111  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.007  -1.275  -1.337  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.608  -0.737  -0.473  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.498  -0.210   0.441  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1       -5.738  -0.599   0.032  0.00  0.00    -0.268 N 
ATOM     13  N   LIG    1       -5.733  -1.365  -1.068  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1       -4.436  -1.438  -1.383  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -6.983  -0.258   0.748  0.00  0.00    +0.107 C 
ATOM     16  C   LIG    1       -8.188   0.307   0.032  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -7.415   1.171   0.983  0.00  0.00    +0.029 C 
ENDBRANCH  12  15
ENDBRANCH   6  10
BRANCH   1  18
ATOM     18  N   LIG    1        2.003  -0.368  -0.594  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.304  -0.902  -1.412  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.772  -0.857   0.551  0.00  0.00    +0.143 C 
BRANCH  20  23
ATOM     21  F   LIG    1        4.410  -3.159   0.427  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.001  -1.978   0.192  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        4.241  -0.802   0.243  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.917   0.391  -0.002  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.410   1.782  -0.084  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.740   2.535  -0.082  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.785   1.645  -0.535  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.275   0.396  -0.299  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        7.021  -0.763  -0.366  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.370  -1.969  -0.109  0.00  0.00    +0.042 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5