REMARK  Name = BDB012286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.399  -1.514   0.330  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1       -0.981  -1.580   0.531  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -1.239  -2.857   0.994  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.001  -3.502   1.018  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        0.994  -2.716   0.612  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.346   0.521  -0.640  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.573  -0.570  -0.233  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        1.198  -0.398  -0.097  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        0.597   0.794  -0.350  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        1.368   1.830  -0.739  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        2.736   1.746  -0.898  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.419  -0.700  -0.584  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        4.808   0.332  -0.784  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.440   1.452  -1.175  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.381   1.183  -1.225  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1       -1.944  -0.506   0.306  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -2.484   0.192   1.391  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -3.427   1.191   1.171  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -3.850   1.506  -0.117  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -3.321   0.806  -1.202  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.375  -0.200  -0.992  0.00  0.00    +0.010 A 
BRANCH  18  22
ATOM     22  O   LIG    1       -3.923   1.847   2.260  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -4.552   2.521   1.954  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH   2  16
TORSDOF 5