REMARK  Name = BDB043097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.829  -0.163   0.867  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.337   0.143   0.621  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -0.979   0.939  -0.253  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.417  -0.526   1.400  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.709  -1.503   2.447  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.674  -1.863   3.010  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.506  -0.602   2.780  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        3.013  -0.861   2.787  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        3.726  -0.011   1.741  0.00  0.00    +0.110 C 
ATOM     10  N   LIG    1        3.248  -0.334   0.395  0.00  0.00    -0.284 N 
ATOM     11  C   LIG    1        1.800  -0.522   0.235  0.00  0.00    +0.132 C 
ATOM     12  C   LIG    1        4.196  -0.473  -0.623  0.00  0.00    +0.306 C 
ATOM     13  N   LIG    1        3.680  -0.846  -1.845  0.00  0.00    -0.269 N 
ATOM     14  H   LIG    1        2.680  -0.901  -1.921  0.00  0.00    +0.156 HD
ATOM     15  O   LIG    1        5.389  -0.280  -0.401  0.00  0.00    -0.252 OA
ATOM     16  C   LIG    1       -1.403  -2.766   1.926  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -2.883  -2.594   1.596  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        0.971  -0.065   1.446  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1       -3.171  -1.598   0.476  0.00  0.00    +0.032 C 
ENDROOT
BRANCH  13  20
ATOM     20  C   LIG    1        4.382  -1.105  -3.043  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        5.773  -1.094  -3.160  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        6.385  -1.367  -4.389  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.612  -1.657  -5.510  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.224  -1.674  -5.406  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.613  -1.401  -4.178  0.00  0.00    +0.023 A 
ENDBRANCH  13  20
BRANCH   1  27
ATOM     26  C   LIG    1       -4.088   1.944   0.613  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -3.602   0.776   0.053  0.00  0.00    -0.303 N 
ATOM     28  H   LIG    1       -3.314   0.841  -0.916  0.00  0.00    +0.149 HD
ATOM     29  O   LIG    1       -4.085   2.159   1.824  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -4.604   2.974  -0.418  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1       -3.479   3.975  -0.679  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -6.400   4.618  -0.728  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -5.846   3.568   0.109  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -5.661   3.921   1.052  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH   1  27
TORSDOF 4