REMARK  Name = BDB000453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575  -0.727   0.897  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.799   0.785   0.860  0.00  0.00    +0.082 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.313   1.267  -0.497  0.00  0.00    +0.232 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -2.588   0.700  -0.799  0.00  0.00    -0.492 OA
BRANCH   4   6
ATOM      5  C   LIG    1       -4.924   0.882  -1.016  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -3.727   1.379  -0.464  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.773   2.484   0.393  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.991   3.103   0.695  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -6.179   2.619   0.148  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -6.144   1.512  -0.703  0.00  0.00    +0.026 A 
BRANCH   9  11
ATOM     11  C   LIG    1       -7.428   3.251   0.460  0.00  0.00    +0.099 C 
ATOM     12  N   LIG    1       -8.437   3.764   0.715  0.00  0.00    -0.191 NA
ENDBRANCH   9  11
BRANCH   5  13
ATOM     13  C   LIG    1       -4.944  -0.319  -1.939  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.425  -2.148  -0.237  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.415  -1.608  -1.258  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   5  13
ENDBRANCH   4   6
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.392  -1.139  -0.067  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.720  -1.093   0.256  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.571  -1.544  -0.759  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.940  -1.532  -0.547  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        5.013  -2.007  -1.477  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        6.253  -1.340  -0.864  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.977  -1.231   0.652  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.480  -1.087   0.663  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        3.649  -0.654   1.683  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        2.264  -0.650   1.471  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.789  -0.161   1.374  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.507   1.247   0.927  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        6.909   1.779  -0.093  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.740   1.931   1.798  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        5.624   2.805   1.369  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 12