REMARK  Name = BDB012418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.882   0.578  -0.804  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.443   0.021  -2.010  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1        0.879   0.377  -2.134  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        1.139   1.256  -1.062  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1        0.047   1.448  -0.315  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.051  -0.969   0.390  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.876  -0.777  -0.347  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.100   0.343  -0.079  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -2.446   1.232   0.894  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.580   1.019   1.592  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.416  -0.055   1.375  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -4.659  -2.959  -0.803  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.875  -2.161   0.089  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.927  -2.291   0.913  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.372  -3.112   0.610  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -1.181  -0.691  -2.862  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1       -2.096  -0.354  -2.853  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1        2.406   1.989  -0.761  0.00  0.00    +0.095 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.284   1.026  -0.003  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1        3.285   1.020   1.399  0.00  0.00    +0.130 A 
ATOM     21  F   LIG    1        2.527   1.896   2.073  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.074   0.133   2.122  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1        4.879  -0.763   1.435  0.00  0.00    +0.126 A 
ATOM     24  F   LIG    1        5.645  -1.622   2.119  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        4.908  -0.781   0.044  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.113   0.112  -0.677  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6