REMARK  Name = BDB000946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.816  -0.418  -0.324  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        3.435  -0.234  -0.472  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.666  -0.911  -1.406  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.351  -0.525  -1.330  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        1.294   0.369  -0.361  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        3.281  -1.843  -2.253  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.658  -2.067  -2.121  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        2.537   0.573   0.183  0.00  0.00    -0.341 N 
ATOM      9  H   LIG    1        2.779   1.195   0.947  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        5.412  -1.369  -1.171  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        6.912   0.361   0.667  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        7.378   0.989   1.310  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        7.443   0.038  -0.128  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.547   0.367   0.702  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        4.944   1.031   1.539  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1        0.085   1.095   0.127  0.00  0.00    +0.070 C 
ATOM     17  C   LIG    1       -0.991   0.139   0.651  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -2.250   0.829   0.325  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -2.027   1.330  -1.037  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -0.612   1.891  -0.980  0.00  0.00    +0.028 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.418  -0.046   0.424  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.676  -0.555   1.846  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.120  -1.047   1.810  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.806  -0.257   0.696  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.739   0.668   0.118  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
ENDBRANCH   5  16
TORSDOF 3