REMARK  Name = BDB053075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.569   0.138   0.687  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1        0.219   0.701   0.551  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.126   1.087   1.979  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.955   0.815   2.811  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.936   1.068   4.170  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.232   1.616   4.704  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.336   1.896   3.878  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.290   1.632   2.505  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.032   0.252   1.995  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        3.131  -0.035   2.431  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.145   1.953  -0.343  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.913   3.102  -0.056  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.823   4.250  -0.849  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.044   4.273  -1.937  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -0.154   5.684  -2.914  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.823   3.161  -2.237  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.733   2.013  -1.443  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  19
ATOM     18  C   LIG    1        3.381   0.946  -0.849  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        2.499  -0.226  -0.391  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.904  -1.025  -1.540  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        1.890  -2.430  -1.460  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        1.385  -3.208  -2.505  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.883  -2.588  -3.645  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.251  -3.540  -4.930  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.889  -1.200  -3.748  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        1.401  -0.425  -2.704  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   2  27
ATOM     27  O   LIG    1       -0.712  -0.279   0.086  0.00  0.00    -0.347 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.806  -1.502   0.808  0.00  0.00    +0.172 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.126  -2.158   0.455  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -2.136  -3.666   0.272  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -2.272  -2.769  -0.926  0.00  0.00    +0.012 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -3.322  -1.466   1.071  0.00  0.00    +0.165 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -4.527  -2.179   0.816  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1       -5.249  -1.657   1.204  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8