REMARK  Name = BDB012930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.524   0.551  -1.332  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.331   0.610  -0.625  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.063   0.557  -1.343  0.00  0.00    +0.121 C 
ATOM      4  C   LIG    1       -0.995   0.647  -0.250  0.00  0.00    +0.094 C 
ATOM      5  C   LIG    1       -0.326  -0.100   0.904  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        1.137   0.312   0.787  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        2.529   0.458  -2.558  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.824   0.374   0.210  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.223   1.244   1.032  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        4.001   1.400   0.499  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.382   2.084   0.917  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.752   0.599  -0.579  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.950  -0.043  -0.821  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.155   0.376  -0.715  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        7.251  -0.032   0.449  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.370  -1.533   0.721  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1       -2.319   0.043  -0.669  0.00  0.00    +0.218 C 
ATOM     18  N   LIG    1       -3.256   0.012   0.345  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -3.082   0.567   1.173  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -2.545  -0.351  -1.807  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.625  -0.426   0.103  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -5.254  -0.931   1.406  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -6.710  -1.343   1.207  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -7.535  -0.215   0.597  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -6.916   0.295  -0.701  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -5.459   0.709  -0.507  0.00  0.00    +0.022 C 
ENDBRANCH  18  21
ENDBRANCH   4  17
TORSDOF 4