REMARK  Name = BDB004581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.120  -0.338  -0.494  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.201   0.271   0.177  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.411   0.373  -0.538  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.500   0.994   0.110  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.389   1.482   1.426  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.200   1.360   2.126  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.502  -0.115  -1.796  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.421  -0.701  -2.323  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.115   0.757   1.506  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.235  -0.836  -1.734  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.840   1.179  -0.533  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.769   1.718   0.060  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.018   0.735  -1.809  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.266   0.267  -2.308  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.923   0.840  -2.243  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.123  -0.459   0.162  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.419   0.457   0.490  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.174  -1.104  -0.613  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -4.672  -0.233   0.669  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -3.506  -0.239  -0.109  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -2.446  -1.106   0.206  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -2.566  -1.953   1.318  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.720  -1.938   2.102  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.769  -1.078   1.781  0.00  0.00    +0.013 A 
BRANCH  19  28
ATOM     25  N   LIG    1       -5.954   1.101  -0.921  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -5.515   0.618  -1.691  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -6.814   1.597  -1.121  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -5.814   0.671   0.370  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1       -6.622   0.996   1.230  0.00  0.00    -0.270 OA
ENDBRANCH  19  28
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5