REMARK  Name = BDB020805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.766   0.025   0.249  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.009   0.722  -0.722  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.376   0.649  -0.606  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.871   1.443  -1.599  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.883   1.927  -2.317  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.023  -0.083   0.393  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.317  -0.696   1.304  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.294   1.470  -1.764  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.059  -0.620   1.207  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  N   LIG    1        7.123  -0.789  -0.398  0.00  0.00    -0.299 N 
ATOM     11  H   LIG    1        6.849  -1.612   0.111  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        6.404   0.357  -0.163  0.00  0.00    +0.302 C 
ATOM     13  N   LIG    1        5.085   0.165   0.217  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1        4.334   1.327   0.690  0.00  0.00    +0.114 C 
ATOM     15  C   LIG    1        2.920   1.362   0.114  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1        2.231   0.028   0.272  0.00  0.00    -0.036 C 
ATOM     17  C   LIG    1        2.968  -1.091   0.414  0.00  0.00    -0.004 C 
ATOM     18  C   LIG    1        4.468  -1.141   0.414  0.00  0.00    +0.137 C 
ATOM     19  O   LIG    1        6.906   1.470  -0.299  0.00  0.00    -0.253 OA
BRANCH  10  21
ATOM     20  C   LIG    1        9.439  -0.503   0.387  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        8.514  -0.727  -0.798  0.00  0.00    +0.102 C 
ENDBRANCH  10  21
ENDBRANCH   1  16
BRANCH   6  22
ATOM     22  N   LIG    1       -3.399  -0.147   0.450  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.638  -0.549   1.359  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.120  -0.911  -0.568  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.585  -0.946  -0.241  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.378   0.199  -0.209  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.014   1.624  -0.403  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.415   2.227  -0.514  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.362   1.340   0.123  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.728   0.126   0.115  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.351  -1.068   0.416  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.582  -2.229   0.376  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.221  -2.161   0.049  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.514  -3.300   0.027  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5