REMARK  Name = BDB020860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.998   0.131   0.809  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.127   0.800   1.722  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.225   0.612   1.562  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.817   1.372   2.529  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.899   1.975   3.249  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.783  -0.195   0.563  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.986  -0.789  -0.283  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.328   1.619   2.737  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.375  -0.612  -0.136  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  O   LIG    1        7.310  -0.135   1.889  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        6.676   0.062   0.858  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1        5.310   0.321   0.832  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        4.612   0.882  -0.320  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        3.218   0.269  -0.470  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        2.466   0.235   0.842  0.00  0.00    -0.036 C 
ATOM     16  C   LIG    1        3.155   0.341   1.997  0.00  0.00    -0.004 C 
ATOM     17  C   LIG    1        4.646   0.457   2.120  0.00  0.00    +0.135 C 
BRANCH  11  18
ATOM     18  C   LIG    1        7.392   0.024  -0.447  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        8.476  -1.007  -0.677  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        7.174  -1.124  -1.408  0.00  0.00    +0.013 C 
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  N   LIG    1       -3.154  -0.330   0.497  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.678  -0.192   1.354  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.764  -1.321  -0.375  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.245  -1.081  -0.440  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.793  -0.004  -1.130  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.128   1.101  -1.863  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.344   1.690  -2.578  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.541   1.325  -1.852  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.166   0.213  -1.146  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -8.050  -0.616  -0.486  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.524  -1.706   0.207  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.140  -1.928   0.225  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.671  -2.974   0.920  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5