REMARK  Name = BDB026909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.720  -1.075  -0.626  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.236  -2.379  -0.032  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.653  -3.416  -0.884  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.124  -4.622  -0.361  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.173  -4.813   1.018  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.743  -3.803   1.875  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.271  -2.596   1.355  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.766  -1.102  -0.631  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        1.071  -0.939   0.334  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.341  -0.056  -1.487  0.00  0.00    +0.090 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.893  -0.038  -1.415  0.00  0.00    +0.033 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.409   0.215  -0.002  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1        3.058   1.367   0.718  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.538   1.570   2.014  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.375   0.625   2.600  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        4.967   0.876   4.196  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.735  -0.524   1.901  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.253  -0.728   0.606  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
BRANCH  11  20
ATOM     19  C   LIG    1        4.960   0.940  -2.576  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        3.445   0.998  -2.420  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       -1.264   0.166   0.141  0.00  0.00    +0.186 C 
ATOM     22  O   LIG    1       -0.557   0.754   0.967  0.00  0.00    -0.290 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.634   0.624  -0.137  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -3.285   1.785   0.406  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.575   1.835  -0.125  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -5.490   2.846   0.192  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -5.077   3.841   1.082  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.798   3.823   1.631  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -4.714   0.748  -0.953  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -5.556   0.525  -1.465  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -2.896   2.804   1.302  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.556   0.017  -0.974  0.00  0.00    +0.095 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8