REMARK  Name = BDB000112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.331   0.124  -0.103  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.029  -0.004  -0.002  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        1.079  -0.904   0.492  0.00  0.00    +0.150 C 
ATOM      4  N   LIG    1        2.305  -0.148   0.131  0.00  0.00    -0.275 N 
ATOM      5  C   LIG    1        2.039   1.149  -0.549  0.00  0.00    +0.167 C 
ATOM      6  C   LIG    1        3.530  -0.695   0.447  0.00  0.00    +0.307 C 
ATOM      7  N   LIG    1        4.614   0.068   0.079  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        4.424   0.941  -0.380  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        3.587  -1.784   1.014  0.00  0.00    -0.252 OA
ATOM     10  C   LIG    1        0.570   1.137  -0.580  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1       -0.340   1.982  -1.042  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1       -1.500   1.341  -0.740  0.00  0.00    -0.263 N 
ATOM     13  H   LIG    1       -2.356   1.810  -1.005  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        5.984  -0.223   0.265  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        6.466  -1.381   0.878  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        7.842  -1.588   1.021  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        8.749  -0.641   0.552  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.280   0.517  -0.061  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.905   0.724  -0.204  0.00  0.00    +0.023 A 
ENDBRANCH   7  14
BRANCH   1  22
ATOM     20  O   LIG    1       -4.253  -1.699   0.768  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -3.655  -0.735   0.283  0.00  0.00    +0.223 C 
ATOM     22  N   LIG    1       -2.286  -0.767   0.335  0.00  0.00    -0.270 N 
ATOM     23  H   LIG    1       -1.952  -1.615   0.784  0.00  0.00    +0.156 HD
BRANCH  21  24
ATOM     24  C   LIG    1       -4.374   0.443  -0.347  0.00  0.00    +0.131 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.882   0.342  -0.333  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1       -6.619   0.843   0.749  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.012   0.748   0.761  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -8.680   0.148  -0.304  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.957  -0.363  -1.380  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.564  -0.270  -1.394  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 4