REMARK  Name = BDB000931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.217   0.180   0.147  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.880  -0.114  -0.150  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.457  -0.612  -1.373  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.099  -0.813  -1.378  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -0.324  -0.430  -0.185  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1        2.401  -0.835  -2.385  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.746  -0.535  -2.129  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.728  -0.008   0.589  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1        0.688   0.341   1.540  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        4.147  -0.033  -0.885  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.741  -0.447   0.328  0.00  0.00    +0.120 C 
ATOM     12  N   LIG    1       -2.557  -1.408  -0.443  0.00  0.00    -0.307 NA
ATOM     13  H   LIG    1       -1.906  -1.961  -1.010  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -3.501  -0.752  -1.341  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -4.496   0.107  -0.562  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -3.830   0.956   0.522  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -2.316   0.982   0.359  0.00  0.00    +0.026 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     18  N   LIG    1        4.879   0.747   1.850  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        5.074   1.005   2.810  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        5.603   0.254   1.350  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        3.561   0.703   1.493  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        2.687   1.055   2.278  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2