REMARK  Name = BDB018534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.944   5.907   1.829  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.069   4.819   1.417  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.265   5.090   1.141  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.791   6.196   1.204  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -1.087   3.923   0.736  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.563   2.685   0.664  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        0.856   2.469   0.990  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.593   3.541   1.342  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.477   1.624   0.211  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -2.515   1.144   0.977  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -3.353   0.162   0.581  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1       -3.156  -0.384  -0.633  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1       -2.173   0.027  -1.451  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1       -1.359   1.013  -1.017  0.00  0.00    +0.124 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -4.015  -1.375  -1.062  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1       -4.916  -1.955  -0.062  0.00  0.00    +0.136 C 
ATOM     17  C   LIG    1       -5.776  -3.045  -0.719  0.00  0.00    +0.179 C 
ATOM     18  O   LIG    1       -5.014  -4.122  -1.288  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1       -3.689  -3.735  -1.685  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1       -3.579  -2.270  -2.139  0.00  0.00    +0.136 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  21
ATOM     21  C   LIG    1        1.447   1.165   0.944  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        2.553   0.796   0.210  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1        2.779  -0.548   0.455  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1        1.872  -1.028   1.329  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1        1.070  -0.005   1.616  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.788  -1.390  -0.112  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1        4.007  -2.719   0.331  0.00  0.00    +0.095 A 
ATOM     28  C   LIG    1        5.008  -3.486  -0.301  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        5.360  -5.121   0.159  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        5.779  -2.955  -1.339  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        5.568  -1.651  -1.765  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.582  -0.874  -1.158  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1        3.290  -3.330   1.422  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1        2.772  -3.883   2.303  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   7  21
TORSDOF 5