REMARK  Name = BDB021170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.296  -0.591  -0.030  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.769   0.717   0.182  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.398   0.858   0.106  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.113   2.176   0.371  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1       -1.332   2.798   0.574  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1        0.472  -0.211  -0.192  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.025  -1.402  -0.387  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.350   1.871   0.445  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -1.392  -1.561  -0.291  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.800  -2.726   0.875  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.675  -1.873   0.425  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.906  -0.804  -0.340  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.684  -0.258  -0.540  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.611   0.913  -1.384  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.669  -0.970   0.062  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.301  -2.027   0.695  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -1.559   4.206   0.879  0.00  0.00    +0.357 C 
ATOM     18  O   LIG    1       -2.644   4.749   1.032  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  OXT LIG    1       -0.425   4.943   0.985  0.00  0.00    -0.476 OA
ATOM     20  HXT LIG    1       -0.777   5.833   1.192  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  21
ATOM     21  N   LIG    1        1.826   0.038  -0.269  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.106   0.991  -0.470  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.738  -0.953  -0.812  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.156  -0.528  -0.543  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        4.853  -0.838   0.648  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        6.161  -0.389   0.805  0.00  0.00    +0.135 A 
ATOM     27  O   LIG    1        6.660  -0.788   2.006  0.00  0.00    -0.463 OA
ATOM     28  C   LIG    1        5.679  -1.489   2.631  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1        6.853   0.366  -0.139  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.158   0.682  -1.307  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.552  -1.549   1.844  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        4.846   0.247  -1.495  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        4.220   0.596  -2.629  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6