REMARK  Name = BDB027058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.668  -0.378  -1.654  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.591  -0.455  -2.864  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.427   0.454  -3.923  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.257   0.401  -5.044  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.253  -0.568  -5.129  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.415  -1.491  -4.098  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.585  -1.441  -2.976  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.405  -1.393  -1.802  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.060  -2.267  -1.395  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.680  -1.019  -1.186  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.716  -1.087   0.349  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.662  -0.236   1.869  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.713   0.789   1.785  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.433   0.510   1.299  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.096  -0.789   0.890  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        4.063  -1.802   0.958  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.344  -1.527   1.440  0.00  0.00    +0.015 A 
BRANCH  12  19
ATOM     18  O   LIG    1        8.031  -0.432   1.867  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        7.026   0.024   2.380  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1        7.028   0.782   3.497  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        6.144   0.923   3.887  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  22
ATOM     22  C   LIG    1       -1.445  -0.581  -0.324  0.00  0.00    +0.186 C 
ATOM     23  O   LIG    1       -1.413  -1.674   0.254  0.00  0.00    -0.290 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.201   0.548   0.238  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -2.868   0.596   1.510  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -3.457   1.856   1.633  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -4.191   2.247   2.760  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -4.328   1.322   3.798  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.755   0.057   3.710  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -3.172   2.549   0.482  0.00  0.00    -0.360 N 
ATOM     31  H   LIG    1       -3.487   3.491   0.290  0.00  0.00    +0.165 HD
ATOM     32  C   LIG    1       -3.025  -0.317   2.575  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1       -2.412   1.780  -0.359  0.00  0.00    +0.095 A 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 9