REMARK  Name = BDB020500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.716   0.554   1.377  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.968   0.180   0.815  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        3.155   0.711   1.373  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        4.395   0.363   0.825  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        4.423  -0.499  -0.260  0.00  0.00    +0.110 A 
ATOM      6  N   LIG    1        3.321  -1.035  -0.835  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1        3.081   1.580   2.473  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.851   1.925   3.029  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.133  -0.688  -0.281  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        0.675   1.414   2.486  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.757   0.278  -2.126  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.800   0.245  -0.601  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -2.514  -0.123  -0.039  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -1.586   0.801   0.362  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -0.534   0.050   0.841  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -0.807  -1.292   0.723  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -1.862   2.238   0.192  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -3.282   2.473   0.422  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -3.670   3.825   0.784  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.015  -1.369   0.206  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.257   1.610  -0.077  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -5.449   1.923  -0.136  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -2.742  -2.717  -0.067  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -1.918  -3.960  -0.286  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.643  -3.331  -1.439  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.705  -0.889  -0.868  0.00  0.00    +0.201 A 
ATOM     27  N   LIG    1        5.704  -1.739  -1.902  0.00  0.00    -0.270 N 
ATOM     28  H   LIG    1        4.895  -2.163  -2.327  0.00  0.00    +0.174 HD
ATOM     29  C   LIG    1        6.981  -1.920  -2.257  0.00  0.00    +0.440 A 
ATOM     30  O   LIG    1        7.385  -2.630  -3.164  0.00  0.00    -0.221 OA
ATOM     31  O   LIG    1        7.773  -1.165  -1.424  0.00  0.00    -0.295 OA
ATOM     32  N   LIG    1        6.886  -0.497  -0.517  0.00  0.00    -0.053 NA
ENDBRANCH   5  26
TORSDOF 3