REMARK  Name = BDB025500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.144   0.310  -0.104  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        1.450  -0.017   0.313  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1        2.651   0.464  -0.168  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        2.846   1.450  -1.261  0.00  0.00    +0.137 C 
ATOM      5  N   LIG    1        4.250   1.923  -1.267  0.00  0.00    -0.310 NA
ATOM      6  H   LIG    1        4.370   2.539  -0.463  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1        5.207   0.800  -1.143  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        5.084   0.036   0.201  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1        3.651  -0.202   0.507  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.983  -1.030   1.414  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1        1.663  -0.910   1.324  0.00  0.00    -0.149 NA
ATOM     12  O   LIG    1       -0.003   1.148  -0.989  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1       -5.770   0.669  -0.717  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -4.478  -0.085  -0.891  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1       -3.353   0.178  -0.078  0.00  0.00    +0.034 A 
ATOM     16  N   LIG    1       -3.451   1.106   0.976  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -4.076   1.872   0.742  0.00  0.00    +0.146 HD
ATOM     18  C   LIG    1       -2.204   1.559   1.567  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1       -1.328   0.366   1.914  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -0.974  -0.411   0.642  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -2.195  -0.611  -0.244  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1       -2.144  -1.587  -1.254  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -3.240  -1.805  -2.081  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.401  -1.062  -1.898  0.00  0.00    +0.005 A 
ENDBRANCH   1  20
BRANCH  10  25
ATOM     25  N   LIG    1        3.588  -1.845   2.282  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1        3.011  -2.228   3.023  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        4.547  -1.681   2.562  0.00  0.00    +0.144 HD
ENDBRANCH  10  25
TORSDOF 2