REMARK  Name = BDB022007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.589  -1.703  -0.617  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.603  -1.460   0.341  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.282  -2.031   0.099  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.567  -2.097   1.364  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        0.684  -0.741   2.080  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -0.419   0.247   1.684  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -1.734  -0.476   1.418  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.362  -2.267  -1.685  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.628  -0.465   0.081  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -5.949  -1.217   1.046  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.632  -1.628   0.834  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -3.980  -1.268  -0.348  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.659  -0.538  -1.328  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -5.979  -0.131  -1.110  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -8.658   0.605  -0.541  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -7.910  -0.131   0.420  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        2.072  -0.121   1.916  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1        2.418   0.151   0.611  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.744  -0.042  -0.122  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.764   0.094   2.907  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.620   0.701   0.112  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1        3.697   0.876  -1.286  0.00  0.00    +0.141 A 
ATOM     23  C   LIG    1        4.854   1.414  -1.853  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        5.933   1.776  -1.039  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        5.864   1.603   0.343  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        4.704   1.065   0.912  0.00  0.00    +0.072 A 
BRANCH  22  27
ATOM     27  O   LIG    1        2.580   0.486  -1.989  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1        2.632   0.605  -3.406  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
BRANCH  25  29
ATOM     29  O   LIG    1        6.849   1.917   1.239  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1        8.052   2.463   0.716  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 6