REMARK  Name = BDB046506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.478  -0.534   0.479  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        2.064  -1.736   1.119  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.704  -1.919   1.411  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.258  -3.048   2.099  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.165  -4.033   2.480  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.516  -3.879   2.180  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.255  -0.993   1.101  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1        0.091  -0.226  -0.046  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        2.965  -2.736   1.509  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        1.520   0.338  -0.042  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        1.806   1.425  -0.546  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.886  -0.169   0.358  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.487  -0.664  -0.961  0.00  0.00    +0.020 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.973  -0.323  -1.120  0.00  0.00    +0.013 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.277   1.170  -1.262  0.00  0.00    +0.120 C 
BRANCH  15  17
ATOM     16  O   LIG    1        5.442   1.159  -3.559  0.00  0.00    -0.251 OA
ATOM     17  C   LIG    1        5.738   1.758  -2.539  0.00  0.00    +0.305 C 
BRANCH  17  18
ATOM     18  O   LIG    1        5.638   3.099  -2.473  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1        5.259   3.354  -3.340  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1       -0.935   0.901  -0.193  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.356   0.366  -0.345  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.242   1.477  -0.550  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.272   1.508   0.353  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.586   1.459  -0.133  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.646   1.516   0.785  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.396   1.644   2.153  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.085   1.724   2.619  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.022   1.663   1.719  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.866   1.333  -1.611  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.568  -0.035  -2.176  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -5.226  -1.046  -1.587  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.750  -0.071  -3.516  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -5.531  -0.996  -3.753  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 13