REMARK  Name = BDB040472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.173   1.316   0.625  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.982   1.558  -0.488  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.255   0.980  -0.594  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.158   1.411  -2.009  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.758   0.119   0.406  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.930  -0.106   1.527  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.421  -1.087   2.868  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.657   0.475   1.628  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.134  -0.537   0.309  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.359  -1.299  -0.995  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.475  -1.939  -1.562  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.645  -1.314  -1.481  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.784  -1.834  -2.336  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.787  -0.900  -0.845  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.896  -1.137  -1.315  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.607  -0.229   0.495  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.259   0.467   0.586  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.205   1.910   0.713  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.455   1.506  -0.170  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        2.165   1.062   0.048  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.018   0.060   0.106  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.789   2.664   0.079  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        5.790   1.128  -1.040  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        4.434   0.457  -0.749  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        3.888  -0.100  -2.076  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.592  -0.629   0.279  0.00  0.00    +0.152 A 
ATOM     27  O   LIG    1        3.577  -1.540   0.365  0.00  0.00    -0.359 OA
ATOM     28  N   LIG    1        3.846  -2.445   1.373  0.00  0.00    -0.086 NA
ATOM     29  C   LIG    1        5.026  -2.078   1.874  0.00  0.00    +0.157 A 
ATOM     30  C   LIG    1        5.541  -0.940   1.228  0.00  0.00    +0.068 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5