REMARK  Name = BDB062187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.473  -0.405  -1.375  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -0.174  -0.587  -1.108  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.838  -0.719  -2.191  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.675  -0.718  -3.394  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1        1.992  -0.848  -1.491  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1        2.889  -1.021  -1.908  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1        1.716  -0.811  -0.164  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1        0.453  -0.671   0.117  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -4.692   0.772   0.184  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -4.694   0.038   1.374  0.00  0.00    +0.158 A 
ATOM     11  C   LIG    1       -3.663  -0.834   1.690  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -2.597  -0.981   0.802  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.557  -0.249  -0.393  0.00  0.00    -0.019 A 
ATOM     14  C   LIG    1       -3.622   0.619  -0.700  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.808   2.364  -1.186  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -5.781   1.589   0.007  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -5.730   0.164   2.260  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -6.332   0.815   1.849  0.00  0.00    +0.292 HD
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  N   LIG    1        2.679  -0.961   0.785  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        2.309  -1.010   1.729  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.028  -0.565   0.743  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.923  -1.158   1.647  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.283  -0.839   1.632  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.771   0.080   0.708  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.899   0.679  -0.197  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.538   0.356  -0.180  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 5