REMARK  Name = BDB046521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.195   0.585  -0.149  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1       -3.033  -0.518   0.230  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.491  -1.563   1.000  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -3.282  -2.621   1.457  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -4.631  -2.679   1.126  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -5.184  -1.673   0.342  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -1.178  -1.626   1.384  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.312  -0.851   0.564  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1       -4.394  -0.603  -0.100  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.845   0.538   0.203  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1       -0.081   1.507   0.165  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.042   2.351  -1.918  0.00  0.00    +0.028 C 
ATOM     13  C   LIG    1       -2.764   1.849  -0.660  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -2.817   2.932   0.421  0.00  0.00    +0.028 C 
ENDBRANCH   1  13
BRANCH   8  15
ATOM     15  C   LIG    1        0.085  -1.678  -0.672  0.00  0.00    +0.095 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.935  -0.939  -1.703  0.00  0.00    +0.233 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.905  -0.085  -1.112  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        3.093  -0.586  -0.670  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        3.949   0.350  -0.060  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        5.189  -0.079   0.443  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        5.579  -1.412   0.332  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.733  -2.330  -0.281  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.494  -1.920  -0.780  0.00  0.00    +0.046 A 
BRANCH  19  24
ATOM     24  C   LIG    1        3.563   1.805   0.086  0.00  0.00    +0.159 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.180   2.172   1.499  0.00  0.00    +0.309 C 
ATOM     26  O   LIG    1        3.997   2.407   2.381  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1        1.851   2.219   1.732  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1        1.275   1.999   0.957  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 8