REMARK  Name = BDB058282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.307   1.110   0.415  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.014   0.135   0.380  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.724   1.889   1.405  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1       -0.937   3.080   1.611  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.726   0.520  -1.501  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -2.256   1.478  -0.569  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.744   2.790  -0.660  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.670   3.155  -1.643  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.125   2.216  -2.558  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.655   0.907  -2.488  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -2.316  -0.918  -1.548  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -2.585  -1.661  -2.480  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -1.270  -2.672  -0.406  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -1.644  -1.291  -0.429  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1        0.276   1.090   2.259  0.00  0.00    +0.181 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.675   1.428   1.927  0.00  0.00    -0.289 NA
ATOM     17  C   LIG    1        2.048   1.136   0.534  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1        2.216  -0.337   0.229  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        2.562  -1.244   1.248  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        2.765  -2.594   0.935  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.648  -3.037  -0.382  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.323  -2.138  -1.395  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.660  -0.779   2.682  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1        2.110  -0.793  -1.092  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        2.624   0.753   2.828  0.00  0.00    +0.090 C 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5