REMARK  Name = BDB026885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242   1.157  -0.547  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.236   2.307  -0.705  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.882   2.479  -1.943  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.813   3.502  -2.132  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.116   4.370  -1.086  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.488   4.215   0.147  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.556   3.191   0.338  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.916  -0.926  -1.559  0.00  0.00    -0.288 OA
ATOM      9  C   LIG    1       -0.977  -0.207  -0.553  0.00  0.00    +0.205 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.756  -0.621   0.629  0.00  0.00    +0.137 A 
ATOM     11  C   LIG    1       -2.646  -1.736   0.718  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.132  -1.712   2.020  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -4.048  -2.647   2.514  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -4.478  -3.644   1.633  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.010  -3.697   0.321  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.530  -0.637   2.608  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1       -2.655  -0.309   3.559  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1       -3.095  -2.749  -0.152  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -1.679   0.030   1.809  0.00  0.00    -0.170 NA
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.672   1.313   0.620  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.099   1.108   1.449  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.805   0.379   0.607  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.900   0.762  -0.400  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.079  -0.179  -0.317  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        5.176   0.127   0.501  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.257  -0.752   0.592  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.243  -1.943  -0.132  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        7.575  -3.027  -0.019  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        5.158  -2.262  -0.945  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.077  -1.383  -1.036  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7