REMARK  Name = BDB021514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.130   0.164  -0.758  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        2.884   0.068   0.609  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.815   0.757   1.226  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.790   0.495   2.567  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.866   1.182   3.394  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.561   0.962   2.928  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.948   2.029   2.021  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.212   2.366   0.890  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.540   3.332   0.198  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.969   1.558   0.449  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        1.233   1.644  -0.936  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.293   0.957  -1.531  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        4.132  -0.458  -1.446  0.00  0.00    -0.492 OA
BRANCH  13  14
ATOM     14  C   LIG    1        5.078  -1.212  -0.684  0.00  0.00    +0.233 C 
BRANCH  14  18
ATOM     15  C   LIG    1        9.358  -0.031  -2.051  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        8.243  -0.728  -1.426  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1        7.019  -0.652  -2.230  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1        6.139  -1.760  -1.641  0.00  0.00    +0.042 C 
ATOM     19  C   LIG    1        7.119  -2.695  -0.922  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1        8.500  -2.158  -1.264  0.00  0.00    +0.084 C 
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -2.155   2.804   2.322  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.380   2.482   1.435  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -4.411   3.431   1.770  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -4.744   3.219   2.658  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.896   1.035   1.654  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.781   0.489   0.601  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.150  -0.902   0.938  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.160  -1.528   0.002  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.978  -0.731  -0.815  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.931  -1.332  -1.647  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.091  -2.717  -1.649  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.295  -3.511  -0.828  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.778   0.760  -0.844  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.336  -2.920  -0.004  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.992   1.287   0.367  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 8