REMARK  Name = BDB021457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.192  -0.706  -0.040  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -3.425   0.346   0.483  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.023   0.277   0.589  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -1.515   1.421   1.134  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.113   1.540   1.339  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.660   1.267   0.061  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        1.027  -0.139  -0.014  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.100  -1.158   0.180  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.466  -2.325   0.345  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.366  -0.879   0.153  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -2.143  -1.942  -0.359  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -3.534  -1.861  -0.456  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -5.702  -0.596  -0.118  0.00  0.00    +0.120 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.617   0.795  -0.861  0.00  0.00    +0.057 C 
ATOM     15  N   LIG    1       -6.153   0.578  -0.888  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -5.867   0.424  -2.328  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -7.048  -0.340  -2.914  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -8.171  -0.183  -1.897  0.00  0.00    +0.020 C 
BRANCH  14  20
ATOM     19  C   LIG    1       -7.861   1.745   1.489  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -8.349   0.709   0.485  0.00  0.00    +0.015 C 
ENDBRANCH  14  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1        2.453  -0.476   0.104  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.931  -0.492   1.566  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.096   0.864   2.027  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        4.012   1.096   1.763  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.269  -1.238   1.769  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.408  -0.459   1.225  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.834  -0.999  -0.087  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.071  -0.324  -0.642  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.973   0.335   0.210  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        9.130   0.922  -0.320  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.402   0.833  -1.685  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.521   0.163  -2.529  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.663   0.465   1.679  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.362  -0.416  -2.011  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        6.564  -0.501   2.142  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 8