REMARK  Name = BDB006861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.028  -0.251  -1.082  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.119  -1.107  -0.463  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.284  -1.029  -0.558  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.880  -2.080   0.143  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        3.263  -2.202   0.204  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        4.050  -1.252  -0.450  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.460  -0.194  -1.167  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1        0.846  -2.999   0.747  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1        0.869  -4.369   0.059  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.027  -3.156   2.260  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.059  -0.087  -1.216  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -0.463  -2.238   0.418  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.698   0.651  -1.854  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.513  -0.541  -0.751  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -3.365   3.169   1.736  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -3.617   1.804   1.097  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -5.050   1.473   1.233  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -5.588   2.214   0.781  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -5.333   0.208   0.532  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -4.874   0.200  -0.953  0.00  0.00    +0.096 C 
ATOM     21  N   LIG    1       -3.435   0.557  -1.131  0.00  0.00    -0.286 NA
ATOM     22  C   LIG    1       -3.156   1.809  -0.387  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.311  -1.108  -1.661  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.991  -2.284  -0.918  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -5.736  -2.466  -0.320  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.324   0.834  -1.863  0.00  0.00    +0.070 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.920   1.859  -0.926  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        4.127   2.891  -0.403  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.673   3.835   0.467  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.018   3.757   0.826  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.816   2.735   0.316  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.271   1.789  -0.555  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6