REMARK  Name = BDB021173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.386   0.828   0.210  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.844  -0.434  -0.159  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.476  -0.497  -0.324  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.178  -1.771  -0.740  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -1.379  -2.449  -0.764  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1        0.365   0.612  -0.114  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.144   1.771   0.207  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.413  -1.600  -0.393  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1       -1.514   1.848   0.359  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.327   0.990  -2.074  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.741   1.177  -0.642  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.823   1.093   0.414  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.308   1.277   1.717  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.658   1.534   1.928  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.488   1.602   0.825  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -6.063   1.433  -0.444  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.589  -3.846  -1.131  0.00  0.00    +0.261 C 
ATOM     18  O   LIG    1       -0.695  -4.618  -1.457  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1       -2.898  -4.229  -1.080  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -3.604  -3.545  -0.833  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -3.154  -5.167  -1.346  0.00  0.00    +0.145 HD
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1        1.729   0.499  -0.265  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.112   1.442  -0.307  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.492  -0.262   0.719  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.943  -0.269   0.328  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        4.855   0.755   0.677  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        6.176   0.660   0.246  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1        6.894   1.732   0.678  0.00  0.00    -0.463 OA
ATOM     29  C   LIG    1        6.046   2.522   1.383  0.00  0.00    +0.196 A 
ATOM     30  C   LIG    1        6.682  -0.387  -0.520  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.777  -1.391  -0.867  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        4.785   1.972   1.413  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1        4.447  -1.326  -0.453  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        3.624  -2.322  -0.814  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5