REMARK  Name = BDB026906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.901  -0.780  -0.131  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.712  -2.064   0.016  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.443  -2.629  -1.040  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.166  -3.811  -0.855  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.155  -4.453   0.381  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.414  -3.922   1.432  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.693  -2.741   1.250  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.523  -1.151  -0.362  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.594  -1.436  -1.344  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.435  -0.026  -0.122  0.00  0.00    +0.090 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.910  -0.403  -0.420  0.00  0.00    +0.033 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.780   0.849  -0.350  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1        4.014   1.518   0.862  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.808   2.667   0.898  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.371   3.158  -0.277  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        6.347   4.574  -0.232  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        5.146   2.511  -1.489  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.353   1.361  -1.526  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
BRANCH  11  20
ATOM     19  C   LIG    1        4.815  -2.020   0.145  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        3.416  -1.534   0.505  0.00  0.00    +0.006 C 
ENDBRANCH  11  20
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.408   0.138  -1.271  0.00  0.00    +0.186 C 
ATOM     22  O   LIG    1       -0.921   0.034  -2.405  0.00  0.00    -0.290 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.446   1.147  -1.011  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -3.337   1.357   0.102  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.100   2.495  -0.188  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -5.073   3.012   0.678  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -5.294   2.347   1.884  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.569   1.206   2.205  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -3.711   2.949  -1.424  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -4.104   3.756  -1.889  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -3.598   0.705   1.328  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -2.732   2.147  -1.929  0.00  0.00    +0.095 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8