REMARK  Name = BDB056762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623   1.319   1.129  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.213   0.462   0.043  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.014  -0.148  -0.077  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.927  -0.856  -1.272  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.023  -1.616  -1.710  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.185  -1.641  -0.930  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.255  -0.905   0.256  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.300  -0.685  -1.856  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.165  -0.160   0.722  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.984   0.099  -1.043  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.371  -0.932   1.066  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.588  -0.676   0.475  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        5.790   0.371  -0.429  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        7.063   0.593  -0.961  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        8.127  -0.221  -0.574  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        9.694   0.054  -1.229  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        7.933  -1.252   0.344  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        6.661  -1.475   0.875  0.00  0.00    +0.048 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.390   0.556  -1.267  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.148   0.169  -0.119  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.477   0.490  -0.114  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.162   0.087   1.036  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.529   0.353   1.168  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.210   1.050   0.167  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.527   1.449  -0.980  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.165   1.165  -1.124  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.276  -0.060   2.376  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -8.112   0.644   2.913  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.965  -1.306   2.789  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.406  -1.815   2.171  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7