REMARK  Name = BDB010781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.182   3.035  -2.828  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.075   2.757  -1.875  0.00  0.00    +0.110 A 
ATOM      3  N   LIG    1        0.720   1.492  -1.435  0.00  0.00    -0.324 N 
ATOM      4  C   LIG    1       -0.383   1.626  -0.618  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.571   2.998  -0.539  0.00  0.00    +0.184 A 
ATOM      6  N   LIG    1       -1.508   3.596   0.212  0.00  0.00    -0.203 NA
ATOM      7  C   LIG    1       -2.237   2.710   0.901  0.00  0.00    +0.203 A 
ATOM      8  N   LIG    1       -2.142   1.368   0.886  0.00  0.00    -0.208 NA
ATOM      9  C   LIG    1       -1.222   0.775   0.099  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        0.310   3.677  -1.326  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -3.284   3.296   1.768  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1       -3.415   4.632   1.825  0.00  0.00    -0.269 N 
ATOM     13  H   LIG    1       -2.868   5.318   1.330  0.00  0.00    +0.174 HD
ATOM     14  C   LIG    1       -4.423   4.889   2.668  0.00  0.00    +0.440 A 
ATOM     15  O   LIG    1       -4.840   5.995   2.974  0.00  0.00    -0.221 OA
ATOM     16  O   LIG    1       -4.914   3.695   3.134  0.00  0.00    -0.295 OA
ATOM     17  N   LIG    1       -4.133   2.666   2.513  0.00  0.00    -0.051 NA
ENDBRANCH   7  11
BRANCH   9  18
ATOM     18  N   LIG    1       -1.140  -0.612   0.039  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -1.022  -0.941  -0.911  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.134  -1.395   0.787  0.00  0.00    +0.072 C 
ATOM     21  C   LIG    1       -1.508  -2.765   1.060  0.00  0.00    +0.028 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.456  -1.487   0.014  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -3.533  -2.241  -1.345  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.993  -2.586  -0.983  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -4.587  -2.439   0.500  0.00  0.00    +0.005 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   9  18
BRANCH   3  26
ATOM     26  C   LIG    1        1.432   0.273  -1.774  0.00  0.00    +0.127 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.672   0.001  -0.901  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        3.512  -1.121  -1.534  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        4.746  -1.454  -0.697  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1        4.371  -1.816   0.744  0.00  0.00    -0.014 C 
ATOM     31  C   LIG    1        5.622  -2.098   1.573  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        3.538  -0.699   1.382  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1        2.303  -0.365   0.545  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 6