REMARK  Name = BDB012275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.836  -0.363   0.686  0.00  0.00    +0.067 A 
ATOM      2  N   LIG    1       -0.636   0.165   0.418  0.00  0.00    -0.167 NA
ATOM      3  N   LIG    1        0.207  -0.903   0.371  0.00  0.00    -0.182 N 
ATOM      4  C   LIG    1       -0.460  -2.099   0.624  0.00  0.00    +0.217 A 
ATOM      5  C   LIG    1       -1.777  -1.766   0.826  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.603  -0.756   0.103  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.375  -1.887   0.103  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.693  -1.742  -0.161  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.295  -0.524  -0.405  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.489   0.614  -0.380  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.120   0.509  -0.140  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.059   1.948  -0.652  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        3.536   2.754  -1.399  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.196   2.180   0.034  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.402   1.526   0.729  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   4  16
ATOM     16  O   LIG    1        0.127  -3.297   0.647  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        1.083  -3.165   0.455  0.00  0.00    +0.294 HD
ENDBRANCH   4  16
BRANCH   1  18
ATOM     18  C   LIG    1       -3.037   0.515   0.805  0.00  0.00    +0.057 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -4.944   1.634  -0.406  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -3.721   0.742  -0.544  0.00  0.00    +0.003 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6