REMARK  Name = BDB063685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.316   0.478  -0.846  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -2.311   1.224  -0.162  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -1.118  -0.072  -1.261  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -1.114  -1.013  -2.055  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   8
ATOM      5  CA  LIG    1       -6.214  -1.074   0.642  0.00  0.00    +0.119 C 
ATOM      6  N   LIG    1       -5.348  -0.720  -0.354  0.00  0.00    -0.249 N 
ATOM      7  CE  LIG    1       -4.101  -1.421  -0.645  0.00  0.00    +0.169 C 
ATOM      8  CA  LIG    1       -3.611  -0.091  -1.302  0.00  0.00    +0.191 C 
ATOM      9  SD  LIG    1       -3.284  -1.921   0.911  0.00  0.00    -0.131 S 
ATOM     10  CG  LIG    1       -4.694  -2.908   1.484  0.00  0.00    +0.100 C 
ATOM     11  C   LIG    1       -4.886   0.521  -0.661  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.274   1.638  -0.409  0.00  0.00    -0.273 OA
ATOM     13  CB  LIG    1       -5.964  -2.115   1.458  0.00  0.00    +0.014 C 
BRANCH   5  15
ATOM     14  O   LIG    1       -8.056   0.285  -0.136  0.00  0.00    -0.244 OA
ATOM     15  C   LIG    1       -7.485  -0.302   0.767  0.00  0.00    +0.351 C 
BRANCH  15  16
ATOM     16  OXT LIG    1       -7.993  -0.316   2.014  0.00  0.00    -0.476 OA
ATOM     17  HXT LIG    1       -8.786   0.255   1.936  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH   5  15
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        0.077   0.530  -0.702  0.00  0.00    +0.190 A 
ATOM     19  O   LIG    1        1.288   0.017  -1.089  0.00  0.00    -0.452 OA
ATOM     20  C   LIG    1        2.266   0.721  -0.451  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1        1.697   1.689   0.347  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        0.294   1.569   0.187  0.00  0.00    +0.055 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.662   0.303  -0.748  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.529   1.144   0.011  0.00  0.00    -0.483 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.879   0.942  -0.102  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        6.707   1.785   0.661  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1        6.040   3.011   1.684  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        8.098   1.659   0.616  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        8.670   0.685  -0.195  0.00  0.00    +0.019 A 
ATOM     30 BR   LIG    1       10.550   0.504  -0.265  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        7.866  -0.160  -0.958  0.00  0.00    +0.019 A 
ATOM     32  C   LIG    1        6.473  -0.033  -0.911  0.00  0.00    +0.048 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  18
TORSDOF 7