REMARK  Name = BDB007685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.112   1.156   0.504  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.458   0.507  -0.661  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.250   0.341  -1.364  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.942   1.574   1.304  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.682   0.698   0.491  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.309   0.483   0.271  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.338   1.387   0.729  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.728   2.528   1.429  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.082   2.777   1.627  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.042   1.878   1.146  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.571  -0.218  -0.054  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1        4.154  -1.141  -0.153  0.00  0.00    +0.146 HD
BRANCH  11  15
ATOM     13  C   LIG    1        5.881  -1.698   2.266  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        6.465  -0.447   1.607  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1        6.025  -0.296   0.140  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1        6.768   0.820  -0.598  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        8.265   0.685  -0.374  0.00  0.00    +0.161 C 
ATOM     18  O   LIG    1        8.561   0.654   1.021  0.00  0.00    -0.379 OA
ATOM     19  C   LIG    1        7.995  -0.483   1.670  0.00  0.00    +0.164 C 
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.842   0.186  -1.001  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.694   1.432  -1.317  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.157   2.083  -0.127  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.432   2.017   0.535  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.904   1.100  -2.225  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.708  -0.084  -1.845  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.377   0.122  -0.540  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.394  -0.951  -0.195  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.938  -1.784  -1.186  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.896  -2.747  -0.840  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.329  -2.867   0.480  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.806  -2.030   1.463  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.441  -1.681  -2.603  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.847  -1.074   1.128  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.727  -0.351  -2.875  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8