REMARK  Name = BDB018354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.321  -5.812   0.763  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.091  -4.433   0.363  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -2.868  -3.880  -0.646  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -3.761  -4.465  -1.252  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -2.568  -2.468  -0.989  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -1.587  -1.788  -0.369  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -0.788  -2.444   0.681  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.085  -3.721   0.994  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.419  -0.378  -0.791  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.783   0.665   0.071  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.602   1.997  -0.315  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -1.056   2.299  -1.568  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1       -0.692   1.260  -2.433  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.873  -0.071  -2.046  0.00  0.00    +0.009 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -0.891   3.726  -1.939  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1       -1.222   4.685  -1.268  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -0.324   3.888  -3.148  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -0.296   4.861  -3.260  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1        0.266  -1.757   1.368  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        1.307  -1.062   0.796  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        2.013  -0.514   1.832  0.00  0.00    -0.267 N 
ATOM     22  N   LIG    1        1.554  -0.891   3.046  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        0.479  -1.632   2.757  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.157   0.381   1.724  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.753   1.729   1.176  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        3.165   2.136  -0.102  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.776   3.378  -0.607  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        1.976   4.224   0.158  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.559   3.830   1.427  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.946   2.590   1.935  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6