REMARK  Name = BDB016345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.187   2.604  -1.258  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.751   1.228  -0.888  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.706   0.479  -0.209  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.774   0.713  -0.549  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.839  -0.917  -0.050  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.074  -1.609   0.016  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.076  -3.011   0.167  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.899  -3.736   0.309  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.686  -3.067   0.312  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.370  -1.057  -0.057  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.142  -1.714  -0.067  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.839   0.215  -0.063  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.061   0.384  -0.121  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.633  -1.670   0.149  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.920   1.385   0.057  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.700  -1.035   0.178  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        1.103  -0.250   1.260  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.369   0.355   1.281  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.288   0.215   0.227  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        2.869  -0.595  -0.842  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        1.604  -1.205  -0.873  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  N   LIG    1        4.556   0.808   0.259  0.00  0.00    -0.336 N 
ATOM     23  C   LIG    1        4.832   1.843   1.252  0.00  0.00    +0.129 C 
ATOM     24  C   LIG    1        5.327   0.899  -0.980  0.00  0.00    +0.129 C 
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2