REMARK  Name = BDB044015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.161  -0.890   0.119  0.00  0.00    +0.105 A 
ATOM      2  N   LIG    1       -0.810  -0.800  -0.868  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1       -0.518  -0.862  -2.288  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1       -2.046  -0.552  -0.301  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.341  -0.449  -0.989  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -4.293   0.535  -0.646  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.104   1.573   0.412  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -3.421   1.301   1.571  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -3.388   2.078   2.215  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -2.907   0.024   2.008  0.00  0.00    +0.142 C 
ATOM     11  O   LIG    1       -4.601   2.690   0.267  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -5.512   0.598  -1.348  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -5.814  -0.329  -2.344  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.902  -1.333  -2.648  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.681  -1.395  -1.972  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -1.840  -0.368   1.057  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1       -0.475  -0.627   1.323  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  23
ATOM     18  C   LIG    1        6.049   1.556   1.344  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1        4.815   0.919   1.798  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1        4.831  -0.541   1.571  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.924  -1.038   0.432  0.00  0.00    +0.123 C 
ATOM     22  N   LIG    1        2.542  -0.587   0.587  0.00  0.00    -0.294 N 
ATOM     23  C   LIG    1        1.549  -1.248  -0.132  0.00  0.00    +0.263 C 
ATOM     24  O   LIG    1        1.842  -2.110  -0.961  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        2.364   0.706   1.260  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1        3.638   1.570   1.190  0.00  0.00    +0.103 C 
ENDBRANCH   1  23
TORSDOF 1