REMARK  Name = BDB029475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.060   0.068   1.387  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.924  -0.364   0.296  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.361  -0.134   0.818  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -2.938   1.123   0.171  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.034   2.205   0.745  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.378   0.987  -1.122  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.771   1.835  -1.512  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.950  -0.153  -1.627  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.756  -0.103  -2.550  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.517  -1.454  -0.996  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -3.314  -1.294   0.505  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -2.174   0.045   2.335  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -0.803   0.705   2.456  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        3.028   0.540  -0.312  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        1.761   0.139  -0.062  0.00  0.00    -0.208 NA
ATOM     16  C   LIG    1        1.217   0.486   1.109  0.00  0.00    +0.219 A 
ATOM     17  N   LIG    1        1.880   1.204   2.029  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        3.138   1.586   1.749  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        3.774   1.279   0.577  0.00  0.00    +0.055 A 
BRANCH  14  20
ATOM     20  C   LIG    1        3.570   0.125  -1.646  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1        2.939  -0.493  -2.490  0.00  0.00    -0.243 OA
BRANCH  20  23
ATOM     22  C   LIG    1        5.454   0.174  -3.030  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        4.861   0.535  -1.781  0.00  0.00    -0.463 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH   1  16
TORSDOF 3