REMARK  Name = BDB052820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.306  -0.414   0.798  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.531  -1.756   1.216  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.596  -2.505   0.871  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.608  -3.905   1.048  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.494  -4.523   1.647  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.596  -3.780   2.044  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.534  -1.625   0.322  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1        1.630  -2.402   1.825  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.981  -0.343   0.277  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.568   1.060   2.077  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.255   0.681   0.949  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        1.821   1.230  -0.208  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1        1.633   0.697  -1.560  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        2.789  -0.228  -1.975  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.005   0.461  -2.424  0.00  0.00    -0.314 NA
ATOM     16  H   LIG    1        4.689  -0.245  -2.699  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.610   1.322  -1.407  0.00  0.00    +0.082 C 
ATOM     18  C   LIG    1        3.784   2.572  -1.111  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1        2.726   2.360  -0.031  0.00  0.00    +0.109 C 
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  C   LIG    1       -2.858  -1.973  -0.101  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.616  -2.891   0.637  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.910  -3.225   0.229  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.454  -2.645  -0.915  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.710  -1.724  -1.649  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.417  -1.384  -1.244  0.00  0.00    +0.026 A 
ENDBRANCH   7  20
BRANCH   9  26
ATOM     26  O   LIG    1       -1.706   0.679  -0.203  0.00  0.00    -0.439 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.527   1.968   0.228  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1       -1.418   2.960  -0.747  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -1.264   4.293  -0.368  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.236   4.633   0.985  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.371   3.643   1.958  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.528   2.308   1.581  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 4