REMARK  Name = BDB017029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.686  -0.571   0.081  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.630  -1.931   0.309  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.351  -2.223   0.374  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.427  -1.114   0.197  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1        0.409  -0.051   0.008  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.873  -1.093   0.210  0.00  0.00    +0.097 C 
ATOM      7  C   LIG    1       -2.507  -0.623  -1.117  0.00  0.00    +0.060 C 
ATOM      8  C   LIG    1       -3.830  -0.107  -0.641  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -3.814   0.124   0.739  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -4.921   0.642   1.389  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.063   0.916   0.634  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.080   0.684  -0.750  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.954   0.173  -1.400  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.478  -0.213   1.326  0.00  0.00    +0.060 C 
ENDBRANCH   4   6
BRANCH   1  17
ATOM     15  C   LIG    1        5.306   0.314  -0.111  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1        4.149  -0.452   0.031  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        2.921   0.188  -0.061  0.00  0.00    +0.091 A 
ATOM     18  N   LIG    1        2.803   1.524  -0.284  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        3.941   2.236  -0.417  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        5.205   1.685  -0.340  0.00  0.00    +0.035 A 
BRANCH  15  22
ATOM     21  O   LIG    1        6.793  -1.555   0.185  0.00  0.00    -0.245 OA
ATOM     22  C   LIG    1        6.615  -0.368  -0.012  0.00  0.00    +0.337 C 
BRANCH  22  23
ATOM     23  O   LIG    1        7.652   0.476  -0.166  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        8.437  -0.105  -0.078  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  15  22
ENDBRANCH   1  17
TORSDOF 4