REMARK  Name = BDB048298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.149   0.029   0.469  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.280  -0.963  -0.516  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.459  -1.705  -0.629  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.526  -1.453   0.231  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.405  -0.487   1.231  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.225   0.256   1.343  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.040   1.465   0.180  0.00  0.00    +0.248 A 
ATOM      8  O   LIG    1        2.578   2.218   1.217  0.00  0.00    -0.336 OA
ATOM      9  N   LIG    1        1.284   1.777   1.479  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1        1.086   0.798   0.579  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1        2.167   0.579  -0.251  0.00  0.00    -0.190 NA
BRANCH   7  12
ATOM     12  C   LIG    1        4.424   1.751  -0.298  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1        4.415   2.905  -1.298  0.00  0.00    +0.038 C 
BRANCH  12  16
ATOM     14  C   LIG    1        6.668  -0.952  -1.749  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        6.303   0.341  -1.071  0.00  0.00    +0.211 C 
ATOM     16  N   LIG    1        4.957   0.538  -0.906  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1        4.290  -0.131  -1.274  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        7.150   1.149  -0.706  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  O   LIG    1       -3.643  -2.243   0.087  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.869  -1.620   0.135  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1       -5.852  -2.212   0.928  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -7.126  -1.647   0.993  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.419  -0.501   0.253  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.442   0.077  -0.559  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.167  -0.486  -0.626  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5