REMARK  Name = BDB026842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207  -0.231  -0.005  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.397  -1.499   0.851  0.00  0.00    +0.014 C 
ATOM      3  C   LIG    1        0.646  -2.589   0.591  0.00  0.00    +0.005 C 
ATOM      4  C   LIG    1        0.507  -3.540   1.778  0.00  0.00    +0.000 C 
ATOM      5  C   LIG    1       -0.166  -2.740   2.893  0.00  0.00    +0.000 C 
ATOM      6  C   LIG    1       -0.293  -1.314   2.367  0.00  0.00    +0.005 C 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      7  O   LIG    1       -1.241   1.669   1.071  0.00  0.00    -0.290 OA
ATOM      8  C   LIG    1       -1.379   0.751   0.256  0.00  0.00    +0.182 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.643   0.562  -0.470  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -3.837   1.353  -0.348  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.789   0.822  -1.220  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -6.077   1.354  -1.356  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -6.407   2.465  -0.576  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.484   3.021   0.304  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1       -4.206  -0.249  -1.851  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1       -4.669  -0.827  -2.540  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -4.200   2.476   0.427  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -2.919  -0.415  -1.411  0.00  0.00    +0.095 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  N   LIG    1        1.093   0.429   0.284  0.00  0.00    -0.306 NA
ATOM     20  H   LIG    1        0.976   0.962   1.152  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.488   1.365  -0.779  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.857   2.003  -0.492  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.020   1.065  -0.727  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        4.405   0.147   0.261  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.469  -0.729   0.040  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.154  -0.692  -1.171  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        7.466  -1.772  -1.446  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.783   0.212  -2.164  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.717   1.087  -1.944  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7