REMARK  Name = BDB000450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.417  -0.698   0.648  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.324  -1.187  -0.294  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        3.623  -0.696  -0.283  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        4.756  -1.106  -1.170  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1        5.726   0.065  -0.968  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1        5.500   0.578   0.474  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1        4.037   0.261   0.651  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1        3.152   0.741   1.600  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.839   0.261   1.587  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1        0.104  -1.059   0.773  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -0.432  -2.048  -0.106  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -0.904  -1.432  -1.424  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.015  -0.403  -1.221  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.173  -1.080  -0.733  0.00  0.00    -0.492 OA
BRANCH  14  20
ATOM     15  C   LIG    1       -7.930   1.780   0.499  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.654   1.054   0.192  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -6.558  -0.328   0.391  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -5.378  -1.022   0.078  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1       -5.302  -2.506   0.312  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -4.281  -0.322  -0.454  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1       -4.383   1.054  -0.667  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -5.563   1.736  -0.351  0.00  0.00    +0.007 A 
ENDBRANCH  14  20
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1        5.858   2.049   0.640  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  C   LIG    1        7.333   2.258   0.474  0.00  0.00    +0.305 C 
ATOM     25  O   LIG    1        7.903   2.609  -0.545  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1        8.029   1.988   1.595  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1        8.961   2.161   1.347  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 9