REMARK  Name = BDB026846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266   1.577  -0.319  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.109   2.824  -0.559  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.753   3.496   0.493  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.517   4.638   0.246  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.636   5.133  -1.050  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.985   4.492  -2.102  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        1.222   3.349  -1.858  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -1.062   1.984   0.209  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.979   2.075   1.224  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -2.153   1.071  -0.148  0.00  0.00    +0.089 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -2.672   0.078   2.156  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -2.298  -0.219   0.699  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.310  -1.170   0.070  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -2.895  -2.442  -0.357  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.803  -3.330  -0.939  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.134  -2.953  -1.099  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -6.252  -4.046  -1.818  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -5.565  -1.697  -0.680  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.657  -0.809  -0.097  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        0.972   0.585   0.643  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1        0.698   0.584   1.849  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.960  -0.353   0.094  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        2.576  -1.458   0.777  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.446  -2.079  -0.121  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.212  -3.202   0.215  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        4.087  -3.710   1.511  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.230  -3.115   2.432  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1        3.375  -1.381  -1.302  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1        3.912  -1.603  -2.129  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        2.472  -1.993   2.079  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        2.483  -0.348  -1.188  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7