REMARK  Name = BDB020862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.241  -0.169   0.120  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.611  -0.318  -1.151  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.245  -0.456  -1.166  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.091  -0.647  -2.474  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.984  -0.564  -3.225  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.539  -0.421  -0.011  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.030  -0.288   1.156  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.061  -0.357  -2.389  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.406  -0.158   1.186  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.891   0.685   0.764  0.00  0.00    +0.132 C 
ATOM     11  N   LIG    1       -6.479   0.419   0.564  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -5.868  -0.535   1.361  0.00  0.00    +0.239 C 
ATOM     13  O   LIG    1       -6.457  -1.259   2.157  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -4.394  -0.664   1.226  0.00  0.00    +0.072 C 
ATOM     15  C   LIG    1       -3.689  -0.004   0.289  0.00  0.00    -0.029 C 
ATOM     16  C   LIG    1       -4.392   0.926  -0.668  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -5.682   1.465  -0.059  0.00  0.00    +0.112 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1        1.908  -0.547  -0.086  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.249  -0.766   0.849  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.694   0.569  -0.604  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.130   0.155  -0.723  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        5.021   0.207   0.344  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.811   0.608   1.756  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        6.267   0.687   2.214  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        7.079  -0.133   1.344  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.333  -0.230   0.198  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.816  -0.735  -0.992  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.942  -0.791  -2.077  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.619  -0.352  -1.935  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.802  -0.429  -2.996  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4