REMARK  Name = BDB049914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.561   0.951  -0.511  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -2.113  -0.276  -0.235  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -1.740  -1.174  -0.510  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.285  -0.079   0.452  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.408   1.304   0.525  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -4.542   1.865   1.130  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -5.536   1.013   1.631  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -5.393  -0.374   1.548  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.249  -0.949   0.974  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -2.325   1.920  -0.051  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.107  -2.417   0.923  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.072  -3.159   0.804  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.839  -2.914   1.075  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -2.179  -2.378   1.625  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.815  -3.917   1.225  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -0.493   1.872  -2.552  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -0.261   1.103  -1.250  0.00  0.00    +0.053 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.775   1.784  -0.336  0.00  0.00    +0.026 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.178   1.948  -0.935  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.827   0.724  -1.402  0.00  0.00    -0.313 NA
ATOM     21  H   LIG    1        2.309   0.315  -2.177  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.077  -0.274  -0.372  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1        4.029   0.166   0.739  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        4.497  -1.144   1.367  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        4.335  -2.214   0.285  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        3.811  -1.485  -0.948  0.00  0.00    +0.019 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6