REMARK  Name = BDB008642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.944  -1.522   0.423  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -2.865  -2.688   0.820  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        1.851  -0.918   0.345  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        2.362  -2.141   0.810  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1        1.474  -3.159   1.162  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.090  -2.974   1.050  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.443  -1.766   0.585  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        0.460  -0.748   0.229  0.00  0.00    +0.012 A 
BRANCH   4   9
ATOM      9  O   LIG    1        3.727  -2.233   0.879  0.00  0.00    -0.495 OA
ATOM     10  C   LIG    1        4.279  -3.462   1.331  0.00  0.00    +0.277 C 
ENDBRANCH   4   9
BRANCH   3  11
ATOM     11  C   LIG    1        2.766   0.217  -0.061  0.00  0.00    +0.039 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.253   0.060  -1.505  0.00  0.00    +0.007 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.132   1.221  -1.971  0.00  0.00    +0.028 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.470   1.301  -1.237  0.00  0.00    +0.159 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.034   3.599  -1.492  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        6.338   2.257  -1.847  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1       -2.379  -0.268   1.109  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -2.886   0.862   0.435  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -3.256   1.880   1.029  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.990   0.828  -1.119  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -3.010   2.107  -1.768  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -4.231   2.840  -1.592  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -5.483   1.952  -1.529  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -5.283   0.685  -2.251  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -4.952   0.929  -3.188  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.191  -0.044  -1.573  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.216  -0.286   2.569  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -3.254   0.251   3.516  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.908   0.918   3.414  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 10