REMARK  Name = BDB021417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.996  -0.006   1.141  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.831  -0.425  -0.181  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        3.702  -0.033  -0.922  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        3.560  -0.453  -2.362  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1        2.411  -1.435  -2.590  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1        1.141  -1.110  -1.809  0.00  0.00    +0.108 C 
ATOM      7  N   LIG    1        0.819   0.315  -1.821  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        1.502   1.232  -1.022  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        1.104   2.384  -0.862  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.735   0.789  -0.310  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        2.930   1.248   0.998  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.059   0.852   1.716  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        6.065  -0.322   1.931  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1        7.979  -1.520   1.095  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        6.623  -1.626   1.764  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  16
ATOM     16  C   LIG    1       -0.334   0.765  -2.616  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.628   1.049  -1.810  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.545   2.321  -1.148  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.600   2.486  -0.933  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.954  -0.070  -0.790  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.362  -0.145  -0.336  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.806   1.121   0.287  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.148   1.028   0.991  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.698  -0.213   1.353  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.928  -0.263   2.023  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.598   0.914   2.355  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.047   2.148   2.016  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.996  -1.485   0.960  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.828   2.205   1.340  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.519  -1.252   0.621  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 7