REMARK  Name = BDB002117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.573   0.440  -0.844  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.497   1.943  -0.794  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        0.483   2.572  -1.183  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.650   2.686  -0.267  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.813   2.024   0.094  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.906   2.753   0.588  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.827   4.141   0.719  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.659   4.806   0.355  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.917   0.563  -0.038  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1       -3.975   0.016   0.261  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.573   4.082  -0.138  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.713  -0.213  -0.512  0.00  0.00    +0.103 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -1.807  -1.627  -0.597  0.00  0.00    -0.321 N 
ATOM     14  C   LIG    1       -3.017  -2.326  -1.094  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -3.773  -3.053   0.030  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -2.903  -3.932   0.764  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -1.835  -3.176   1.352  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -0.978  -2.501   0.272  0.00  0.00    +0.133 C 
ENDBRANCH  12  13
BRANCH   1  19
ATOM     19  N   LIG    1        0.511  -0.252  -1.399  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        0.209  -1.182  -1.693  0.00  0.00    +0.152 HD
BRANCH  19  24
ATOM     21  C   LIG    1        4.553  -0.415  -0.114  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        4.097  -1.178  -1.193  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        2.758  -1.108  -1.591  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        1.838  -0.294  -0.913  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        2.310   0.475   0.155  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        3.652   0.414   0.559  0.00  0.00    +0.013 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.529   0.425   1.321  0.00  0.00    +0.091 C 
ATOM     28  C   LIG    1        5.990  -0.515   0.275  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1        6.710  -1.361  -0.252  0.00  0.00    -0.292 OA
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4