REMARK  Name = BDB021437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.068  -1.331  -3.551  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.004  -0.442  -2.696  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.251  -0.044  -2.227  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.455   0.942  -1.179  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.711   2.218  -1.505  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        0.585   2.196  -0.934  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        1.484   1.286  -1.406  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        2.789   1.622  -0.986  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.912   0.861  -1.333  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        3.719  -0.268  -2.122  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.429  -0.619  -2.531  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.284   0.137  -2.181  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.425  -0.805  -2.671  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.588  -2.181  -1.995  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.597  -2.947  -2.671  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -3.271  -3.095  -3.576  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -2.898  -2.116  -0.479  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.905  -1.122  -0.043  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.895  -1.028   1.432  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.970  -0.120   1.989  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -6.122   0.172   1.241  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -7.121   0.988   1.789  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.989   1.490   3.083  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.857   1.186   3.836  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.249  -0.337  -0.171  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -4.853   0.383   3.294  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.263  -1.471  -0.494  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        5.295   1.269  -0.875  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.404   1.323   0.592  0.00  0.00    -0.297 NA
ATOM     30  C   LIG    1        5.555  -0.042   1.167  0.00  0.00    +0.097 C 
ATOM     31  C   LIG    1        6.995   0.260   1.425  0.00  0.00    +0.043 C 
ATOM     32  C   LIG    1        7.609  -0.044   2.748  0.00  0.00    +0.171 C 
ATOM     33  O   LIG    1        8.654  -0.828   2.098  0.00  0.00    -0.378 OA
ATOM     34  C   LIG    1        8.060  -0.572   0.791  0.00  0.00    +0.171 C 
ATOM     35  C   LIG    1        6.793   1.675   0.990  0.00  0.00    +0.097 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7