REMARK  Name = BDB048386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.965   4.384   0.408  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.780   3.115   0.382  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.085   1.918   0.253  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.661   1.874  -0.144  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.069   0.541   0.139  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.267   0.064   0.033  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.330  -1.224   0.390  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.930  -1.569   0.714  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.804  -0.540   0.574  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.263  -0.527   0.830  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.876   0.678   0.090  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.006   3.171   0.484  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.282   0.860  -0.389  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.055   1.813  -0.636  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.669   0.621  -0.534  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.294  -0.584  -0.192  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.678  -0.771  -0.359  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        5.306  -2.087  -0.006  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.446   0.258  -0.908  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.845   1.463  -1.261  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.471   1.640  -1.074  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -1.194  -2.920   1.177  0.00  0.00    +0.171 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.365  -3.890   0.017  0.00  0.00    +0.179 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.686  -3.803  -0.517  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -2.706  -4.368  -1.311  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5