REMARK  Name = BDB048328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.968   1.240   3.800  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.810   1.496   2.870  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.480   0.493   1.967  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.402   0.822   1.014  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.892  -0.404   0.345  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.204  -0.599  -0.539  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.273  -1.883  -0.914  0.00  0.00    -0.156 NA
ATOM      8  N   LIG    1       -0.732  -2.498  -0.271  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1       -0.910  -3.918  -0.449  0.00  0.00    +0.172 C 
ATOM     10  C   LIG    1       -1.475  -1.645   0.479  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -2.662  -1.938   1.314  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.397  -0.612   1.605  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -2.189   2.558   2.934  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  N   LIG    1        1.016   0.422  -0.909  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.842   1.327  -0.492  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.136   0.471  -1.771  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.801   1.701  -1.940  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        3.922   1.829  -2.775  0.00  0.00    -0.049 A 
ATOM     19  C   LIG    1        4.587   3.161  -2.955  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.374   0.711  -3.479  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        3.729  -0.514  -3.328  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.623  -0.630  -2.481  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 2