REMARK  Name = BDB026849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.310  -0.565  -0.336  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.733  -1.476  -1.481  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.726  -1.029  -2.813  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.111  -1.879  -3.851  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.504  -3.186  -3.574  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.511  -3.647  -2.260  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.128  -2.799  -1.219  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        1.129  -0.203  -0.382  0.00  0.00    -0.300 NA
ATOM      9  H   LIG    1        1.273   0.385  -1.205  0.00  0.00    +0.123 HD
BRANCH   8  11
ATOM     10  C   LIG    1        2.016  -2.123   0.943  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        2.092  -1.310  -0.354  0.00  0.00    +0.056 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.534  -0.784  -0.603  0.00  0.00    +0.053 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.156   0.037   0.506  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        5.138  -0.524   1.337  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        5.715   0.229   2.363  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.314   1.547   2.564  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        6.023   2.472   3.830  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.342   2.119   1.748  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.767   1.367   0.722  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.144   0.754  -0.355  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.720   1.752  -0.951  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.456   0.777   0.312  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.338   1.906   0.443  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.471   1.482   1.139  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.541   2.333   1.444  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -5.453   3.663   1.026  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.338   4.121   0.330  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -4.296   0.150   1.422  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -4.966  -0.421   1.919  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -3.279   3.256   0.034  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -3.092  -0.285   0.933  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7