REMARK  Name = BDB003632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.558  -0.494  -0.786  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -2.194   0.833  -0.687  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -1.127   1.847  -0.469  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1       -1.535   3.243  -0.911  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -2.795   3.482  -1.492  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.731   2.375  -1.698  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -3.152   4.779  -1.882  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.269   5.842  -1.690  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.027   5.617  -1.104  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.663   4.328  -0.713  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.058   1.283  -1.256  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1        1.327   1.217  -0.456  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1        1.825   2.169   0.127  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        1.837  -0.055  -0.533  0.00  0.00    -0.238 N 
ATOM     15  C   LIG    1        0.932  -0.936  -1.056  0.00  0.00    +0.228 C 
ATOM     16  O   LIG    1        1.012  -2.155  -1.114  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.382   1.145  -1.313  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -0.266  -0.183  -1.538  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  14  19
ATOM     19  C   LIG    1        3.068  -0.442   0.161  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1        3.997  -1.292  -0.720  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1        5.282  -1.661   0.019  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        4.985  -2.360   1.342  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        4.061  -1.525   2.225  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        2.775  -1.142   1.497  0.00  0.00    +0.023 C 
ENDBRANCH  14  19
BRANCH   1  25
ATOM     25  C   LIG    1       -1.360  -1.073   0.633  0.00  0.00    +0.160 C 
ATOM     26  O   LIG    1       -0.517  -0.580   1.392  0.00  0.00    -0.295 OA
BRANCH  25  28
ATOM     27  C   LIG    1       -3.726  -1.921   0.895  0.00  0.00    +0.018 C 
ATOM     28  C   LIG    1       -2.241  -2.258   1.076  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -1.870  -3.504   0.262  0.00  0.00    +0.018 C 
ATOM     30  C   LIG    1       -1.988  -2.553   2.566  0.00  0.00    +0.018 C 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 3