REMARK  Name = BDB046894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.249  -1.541   1.186  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -3.736  -2.598   1.891  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -2.422  -2.397   1.924  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -2.031  -1.233   1.244  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.220  -0.707   0.783  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -9.566   0.658  -0.730  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -8.350   0.636  -0.581  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -7.666  -0.448   0.149  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -6.266  -0.393   0.267  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -5.673  -1.450   0.973  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -6.418  -2.473   1.512  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -7.755  -2.469   1.365  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -5.547   0.680  -0.306  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -6.192   1.603  -0.930  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -8.428  -1.481   0.692  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -7.542   1.618  -1.084  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -8.002   2.365  -1.584  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.651  -0.695   1.064  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.051  -1.305  -0.162  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.456  -0.881  -0.300  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        2.177  -1.790  -1.210  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1        3.468  -1.196  -1.793  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        4.081  -0.157  -0.849  0.00  0.00    -0.004 C 
ATOM     24  C   LIG    1        3.058   0.968  -0.592  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        1.598   0.510  -0.731  0.00  0.00    +0.084 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.413   0.376  -1.407  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.150   1.281  -0.449  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        6.217   2.663  -0.681  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        6.892   3.505   0.210  0.00  0.00    +0.060 A 
ATOM     30 CL   LIG    1        6.922   5.195  -0.150  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        7.508   2.968   1.345  0.00  0.00    +0.059 A 
ATOM     32 CL   LIG    1        8.357   3.945   2.489  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        7.446   1.593   1.582  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        6.772   0.754   0.691  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6