REMARK  Name = BDB005649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.945   0.295   0.351  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        2.257  -0.916   0.207  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.858  -0.932   0.179  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.111   0.251   0.279  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -1.368   0.166   0.229  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -2.115   1.338   0.274  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -1.708   2.099  -0.264  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -3.571   1.323   0.307  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -4.104   0.129  -0.476  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -3.454  -1.173   0.004  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.960  -1.041   0.128  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -1.160  -2.293   0.065  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -1.689  -3.399  -0.001  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.805   1.457   0.439  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        0.199  -2.160   0.069  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.723  -3.022   0.019  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        2.204   1.479   0.470  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        4.450   0.331   0.386  0.00  0.00    +0.113 C 
BRANCH  18  19
ATOM     19  N   LIG    1        4.990   1.017  -0.781  0.00  0.00    -0.326 NA
ATOM     20  H   LIG    1        4.668   0.541  -1.623  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        6.005   0.938  -0.776  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 2