REMARK  Name = BDB031001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.413  -1.957   0.246  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.326  -1.189   0.358  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -0.892  -1.774   0.370  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.062  -3.133   0.241  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1        0.112  -3.847   0.157  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1        1.341  -3.294   0.163  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.989  -0.822   0.500  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.171   0.427  -0.179  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.354   0.994   0.296  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.849   2.220  -0.168  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -3.104   2.896  -1.147  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.911   2.358  -1.633  0.00  0.00    +0.019 A 
ATOM     13  N   LIG    1       -3.854   0.141   1.253  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -4.696   0.308   1.788  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -1.436   1.130  -1.158  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -3.024  -0.940   1.407  0.00  0.00    +0.093 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -3.571   4.158  -1.644  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1       -3.953   5.179  -2.043  0.00  0.00    -0.191 NA
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1       -2.371  -3.828   0.184  0.00  0.00    +0.421 C 
ATOM     20  F   LIG    1       -3.284  -3.236  -0.632  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -2.263  -5.109  -0.280  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -2.964  -3.948   1.405  0.00  0.00    -0.166 F 
ENDBRANCH   4  19
BRANCH   1  23
ATOM     23  N   LIG    1        2.700  -1.433   0.207  0.00  0.00    -0.267 N 
ATOM     24  H   LIG    1        3.349  -2.204   0.168  0.00  0.00    +0.156 HD
BRANCH  23  30
ATOM     25  C   LIG    1        5.757   2.444   0.136  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1        4.606   1.516   0.145  0.00  0.00    +0.035 A 
ATOM     27  N   LIG    1        3.312   1.950   0.123  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1        2.969   2.905   0.102  0.00  0.00    +0.189 HD
ATOM     29  N   LIG    1        2.413   0.960   0.127  0.00  0.00    -0.158 NA
ATOM     30  C   LIG    1        3.135  -0.161   0.177  0.00  0.00    +0.147 A 
ATOM     31  C   LIG    1        4.521   0.142   0.179  0.00  0.00    +0.068 A 
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 5