REMARK  Name = BDB018822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.216  -0.657   1.118  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.905  -0.330   1.380  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.172  -0.147   0.406  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1        1.359   0.200   1.247  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.002   0.171   2.604  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        1.924   0.463   3.594  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        3.223   0.793   3.207  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.580   0.825   1.847  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.650   0.524   0.837  0.00  0.00    -0.013 A 
ATOM     10  C   LIG    1       -0.438  -0.199   2.757  0.00  0.00    +0.143 C 
ATOM     11  O   LIG    1       -3.027  -0.810   2.034  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        3.031   0.560  -0.577  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        3.255   1.782  -1.227  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.607   1.819  -2.578  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.742   0.632  -3.296  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.528  -0.591  -2.663  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.175  -0.626  -1.313  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
BRANCH   1  19
ATOM     18  N   LIG    1       -3.789  -1.683  -0.589  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -2.636  -0.753  -0.355  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -3.125   0.617  -0.840  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -4.281   0.294  -1.768  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.935  -0.899  -1.094  0.00  0.00    +0.117 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -3.922  -4.023   0.267  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -3.868  -2.931  -0.111  0.00  0.00    +0.170 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3