REMARK  Name = BDB029376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.259  -0.111  -0.300  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.675  -0.069  -1.579  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.640  -0.495  -1.785  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.396  -0.958  -0.706  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.829  -1.031   0.568  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.487  -0.603   0.767  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1       -8.409   0.359  -1.060  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -7.251   0.509  -0.707  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1       -6.151  -0.171  -1.216  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -6.228  -0.868  -1.942  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.979   0.234  -0.598  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -5.264   1.208   0.355  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -4.255   1.769   1.109  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -2.946   1.325   0.882  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -2.647   0.333  -0.087  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -3.699  -0.218  -0.840  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1       -6.740   1.473   0.371  0.00  0.00    +0.133 C 
ENDBRANCH   1  15
BRANCH   4  18
ATOM     18  C   LIG    1        2.779  -1.426  -0.954  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        3.813  -0.902  -0.188  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        5.163  -1.429  -0.397  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        6.079  -1.143   0.804  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        6.200   0.282   1.165  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1        6.289   0.355   2.178  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        5.054   1.078   0.699  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1        3.718   0.316   0.628  0.00  0.00    +0.123 C 
ATOM     26  O   LIG    1        2.948  -2.267  -1.833  0.00  0.00    -0.270 OA
ENDBRANCH   4  18
TORSDOF 2