REMARK  Name = BDB021490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.861  -0.450  -0.173  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        2.851   0.402  -0.609  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.538  -0.061  -0.863  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        0.749   0.971  -1.283  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.483   0.659  -1.910  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -1.433   0.028  -0.916  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.306  -1.419  -0.944  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.104  -2.105  -0.807  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.110  -3.339  -0.780  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.219  -1.409  -0.653  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.264  -2.258  -0.220  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.560  -1.790   0.013  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.157  -0.112   0.090  0.00  0.00    -0.487 OA
BRANCH  13  18
ATOM     14  C   LIG    1        9.709   1.177   1.424  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        9.245   1.073  -0.006  0.00  0.00    +0.213 C 
ATOM     16  N   LIG    1        7.899   1.240  -0.223  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        6.862   1.433   0.784  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1        5.533   1.269   0.030  0.00  0.00    +0.192 C 
ATOM     19  C   LIG    1        5.911   1.671  -1.397  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        7.325   1.127  -1.549  0.00  0.00    +0.111 C 
ATOM     21  O   LIG    1       10.041   0.849  -0.917  0.00  0.00    -0.276 OA
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -2.547  -2.201  -0.925  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.970  -2.700   0.471  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.064  -3.624   0.355  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -3.724  -4.392  -0.140  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.339  -1.575   1.469  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.241  -0.510   0.975  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.582  -1.048   0.654  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.611   0.023   0.344  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.418   1.356   0.746  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -7.397   2.318   0.466  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.575   1.955  -0.185  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.781   0.631  -0.567  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.133   1.755   1.421  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.806  -0.331  -0.301  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -4.374   0.550   1.990  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7