REMARK  Name = BDB014246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.991   0.332  -1.751  0.00  0.00    +0.023 A 
ATOM      2  N   LIG    1        1.345   0.076  -0.445  0.00  0.00    -0.356 N 
ATOM      3  H   LIG    1        0.789  -0.434   0.232  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.564   0.641  -0.155  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        3.003   1.269  -1.314  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        4.180   1.935  -1.398  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.909   1.952  -0.263  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.548   1.357   0.935  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.334   0.672   1.011  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        2.018   1.073  -2.309  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.934   0.035   2.278  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        3.577   0.052   3.311  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        1.747  -0.596   2.204  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        1.619  -0.945   3.113  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.284  -0.162  -2.361  0.00  0.00    +0.088 C 
BRANCH  15  19
ATOM     16  C   LIG    1       -3.509  -0.577   0.497  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -2.869  -1.708  -0.008  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -1.831  -1.574  -0.937  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -1.422  -0.308  -1.376  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1       -2.067   0.824  -0.863  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.101   0.687   0.066  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -5.018  -1.832   1.838  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.529  -0.568   1.408  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 5