REMARK  Name = BDB054456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.156  -1.068   0.029  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.793  -1.091   0.104  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.362  -0.275   0.474  0.00  0.00    +0.149 C 
ATOM      4  N   LIG    1       -1.497  -1.188   0.168  0.00  0.00    -0.286 N 
ATOM      5  C   LIG    1       -1.067  -2.563  -0.318  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -1.448  -3.668   0.675  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -1.600  -2.856  -1.724  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -2.828  -0.881   0.378  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1       -3.723  -1.706   0.192  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        0.413  -2.355  -0.336  0.00  0.00    +0.092 A 
ATOM     11  N   LIG    1        1.434  -3.132  -0.684  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1        2.500  -2.321  -0.452  0.00  0.00    -0.263 N 
ATOM     13  H   LIG    1        3.442  -2.659  -0.632  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -3.172   0.555   0.791  0.00  0.00    +0.078 C 
ATOM     15  C   LIG    1       -3.209   1.445  -0.463  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -4.200   2.597  -0.314  0.00  0.00    +0.085 C 
ATOM     17  N   LIG    1       -5.575   2.170  -0.044  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.414   2.220  -1.240  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.678   0.853   0.601  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.510   0.597   1.552  0.00  0.00    +0.028 C 
ENDBRANCH   8  14
BRANCH   1  22
ATOM     21  C   LIG    1        4.429  -0.264   0.182  0.00  0.00    +0.218 C 
ATOM     22  N   LIG    1        3.063  -0.075   0.338  0.00  0.00    -0.270 N 
ATOM     23  H   LIG    1        2.714   0.809   0.686  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1        4.944  -1.304  -0.221  0.00  0.00    -0.275 OA
BRANCH  21  25
ATOM     25  C   LIG    1        5.226   0.963   0.597  0.00  0.00    +0.099 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.963   1.025  -1.245  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        6.721   0.872   0.259  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1        7.499   1.949   1.018  0.00  0.00    +0.008 C 
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH   1  22
TORSDOF 4