REMARK  Name = BDB006939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.191  -1.277  -0.136  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.049  -1.864  -0.334  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.345  -1.333  -0.485  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.252  -2.372  -0.740  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        3.607  -2.124  -0.923  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        4.065  -0.812  -0.836  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        3.174   0.243  -0.570  0.00  0.00    -0.028 A 
ATOM      8  C   LIG    1        1.558  -3.712  -0.810  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1        1.516  -4.220  -2.257  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        2.198  -4.758   0.107  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.804  -0.028  -0.386  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        0.146  -3.332  -0.318  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.162  -1.985   0.161  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.324   0.243  -0.307  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.562   0.662   0.712  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.696   0.757  -0.495  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.357   0.228  -1.697  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.711   0.945  -1.976  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.555   0.135  -2.959  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -5.525   1.249  -0.776  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.276   2.212  -0.508  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.064   0.427   0.358  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -3.409   1.946   1.571  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.782   4.275   1.683  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -3.938   3.098   0.904  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        3.697   1.657  -0.450  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.331   1.905   0.830  0.00  0.00    -0.297 N 
ATOM     28  C   LIG    1        5.691   1.736   1.048  0.00  0.00    +0.216 C 
ATOM     29  O   LIG    1        6.545   1.512   0.206  0.00  0.00    -0.276 OA
ATOM     30  C   LIG    1        5.933   1.819   2.536  0.00  0.00    +0.097 C 
ATOM     31  C   LIG    1        4.633   2.413   3.066  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1        3.594   1.947   2.067  0.00  0.00    +0.108 C 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6