REMARK  Name = BDB005103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.727  -0.514  -2.922  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.621   0.499  -2.727  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        0.556   0.167  -2.033  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.597   1.093  -1.878  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.456   2.364  -2.434  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.296   2.706  -3.133  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.735   1.779  -3.281  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        2.726   0.675  -1.143  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.681  -0.268  -0.781  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        3.898   1.377  -0.935  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        4.211   2.456  -1.423  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        4.883   0.698  -0.049  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        6.245   0.829  -0.343  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        7.188   0.206   0.472  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        8.863   0.352   0.107  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.786  -0.535   1.583  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.429  -0.651   1.889  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.476  -0.032   1.077  0.00  0.00    +0.013 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -2.018  -1.268  -1.702  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -2.484  -2.144  -1.926  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -4.111  -1.167   2.667  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -3.848  -0.542   1.429  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.048  -1.242   0.505  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.802  -0.605  -0.730  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -3.290   0.611  -1.015  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -4.020   1.200  -0.071  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -2.520  -2.515   0.837  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -2.790  -3.112   2.061  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -4.331   0.683   1.123  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -3.588  -2.439   2.972  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -5.495   0.683   3.509  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -5.314   1.180   2.642  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -6.041   1.122   4.236  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -4.950  -0.544   3.739  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -5.151  -1.113   4.808  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6