REMARK  Name = BDB021526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.093   0.833  -3.164  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.554  -0.294  -2.389  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1       -2.542  -0.087  -1.000  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -1.424  -0.072  -0.138  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -1.663   0.164   1.244  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.938   0.363   1.778  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.050   0.323   0.951  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        0.046  -0.253  -0.447  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1        0.827  -0.248   0.514  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        0.578  -0.431  -1.726  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -0.163  -0.213  -2.954  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -3.830   0.100  -0.414  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -1.448  -1.019  -2.996  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -5.413   0.529   1.483  0.00  0.00    -0.044 C 
ATOM     15  C   LIG    1       -6.326   1.464   0.722  0.00  0.00    +0.035 C 
ATOM     16  C   LIG    1       -7.531   1.927   1.546  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -8.184   0.750   2.263  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -7.192   0.051   3.193  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -5.820  -0.101   2.602  0.00  0.00    -0.023 C 
ENDBRANCH   7  14
BRANCH  10  20
ATOM     20  C   LIG    1        2.050  -0.460  -1.841  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.675   0.947  -1.891  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.268   1.599  -3.115  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.714   1.149  -3.853  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.228   0.960  -1.846  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.971   0.489  -0.674  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.358  -0.925  -0.741  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.110  -1.411   0.482  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.072  -0.693   1.690  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        6.756  -1.179   2.812  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.453  -2.385   2.744  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.478  -3.109   1.554  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.352   0.630   1.758  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        6.809  -2.627   0.429  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.350   0.818   0.611  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 6