REMARK  Name = BDB048360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.421  -0.215  -0.356  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.736  -0.343  -1.307  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.232   0.120  -3.157  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.819  -0.283  -1.827  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.936  -0.436  -0.764  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.472  -0.504  -0.960  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.754  -0.295   0.324  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.368  -0.164   0.615  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.183   0.002   1.930  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.414  -0.009   2.469  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.558   0.167   3.893  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.388  -0.207   1.545  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.852  -0.296   1.749  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.478  -0.963   0.507  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.034  -0.450  -1.717  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.988  -0.115  -0.300  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.716  -0.202  -1.498  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.115  -0.111  -1.513  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.829   0.074  -0.326  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.112   0.159   0.872  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.712   0.066   0.880  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.280   0.165  -0.349  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        6.052   0.852   0.566  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        7.349   0.695   0.171  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        8.524   1.234   0.812  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        7.484  -0.044  -0.945  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        6.226  -0.365  -1.258  0.00  0.00    +0.142 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3