REMARK  Name = BDB002501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.179   0.095   0.579  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.727  -0.248  -0.213  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.793   1.067   1.349  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -0.266   1.679   2.279  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.085  -2.143   0.828  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        3.721  -1.525   0.763  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1        2.818  -1.897  -0.237  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.535  -1.342  -0.274  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        1.129  -0.412   0.691  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.024  -0.054   1.698  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        3.309  -0.610   1.736  0.00  0.00    +0.005 A 
ENDBRANCH   1   9
BRANCH   3  12
ATOM     12  C   LIG    1       -2.256   1.343   0.980  0.00  0.00    +0.249 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -3.111   0.326   1.673  0.00  0.00    -0.055 NA
ATOM     14  O   LIG    1       -4.056   0.844   2.280  0.00  0.00    -0.148 OA
ENDBRANCH  12  13
BRANCH  12  15
ATOM     15  C   LIG    1       -2.535   1.416  -0.538  0.00  0.00    +0.123 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.172   0.236  -1.380  0.00  0.00    -0.306 NA
ATOM     17  C   LIG    1       -2.017   0.664  -2.780  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -3.204  -0.811  -1.324  0.00  0.00    +0.104 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   3  12
TORSDOF 5