REMARK  Name = BDB063639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.264  -1.685  -1.604  0.00  0.00    +0.271 C 
ATOM      2  N   LIG    1       -1.150  -0.966  -0.829  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.792  -0.159  -0.326  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.548  -2.707  -2.218  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1        6.107   1.858   0.880  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        6.303   1.506  -0.473  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        5.292   0.838  -1.168  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1        4.086   0.522  -0.512  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        3.874   0.864   0.840  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1        2.662   0.524   1.464  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        1.636  -0.147   0.776  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        1.828  -0.479  -0.579  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        1.097  -1.127  -1.624  0.00  0.00    +0.176 A 
ATOM     14  N   LIG    1        1.838  -1.203  -2.743  0.00  0.00    -0.072 NA
ATOM     15  O   LIG    1        3.035  -0.581  -2.459  0.00  0.00    -0.353 OA
ATOM     16  C   LIG    1        3.037  -0.150  -1.170  0.00  0.00    +0.176 A 
ATOM     17  C   LIG    1        4.902   1.535   1.522  0.00  0.00    +0.058 A 
BRANCH   5  19
ATOM     18  C   LIG    1        7.002   2.896   2.842  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.154   2.513   1.484  0.00  0.00    -0.491 OA
ENDBRANCH   5  19
BRANCH   6  20
ATOM     20  O   LIG    1        7.513   1.861  -1.018  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1        7.754   1.513  -2.374  0.00  0.00    +0.277 C 
ENDBRANCH   6  20
ENDBRANCH   1  13
BRANCH   2  22
ATOM     22  C   LIG    1       -2.471  -1.208  -0.564  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.128  -0.429   0.535  0.00  0.00    +0.293 A 
ATOM     24  O   LIG    1       -2.519   0.428   1.161  0.00  0.00    -0.264 OA
ATOM     25  N   LIG    1       -4.455  -0.854   0.594  0.00  0.00    -0.216 N 
ATOM     26  N   LIG    1       -4.651  -1.884  -0.372  0.00  0.00    -0.282 N 
ATOM     27  C   LIG    1       -5.226  -3.118   0.200  0.00  0.00    +0.171 C 
ATOM     28  C   LIG    1       -3.428  -2.006  -1.064  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1       -3.359  -2.919  -2.246  0.00  0.00    +0.067 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.541  -0.105   1.116  0.00  0.00    +0.067 A 
ATOM     31  C   LIG    1       -5.341   0.829   2.142  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -6.409   1.568   2.662  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -7.694   1.388   2.160  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.912   0.472   1.136  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -6.843  -0.267   0.618  0.00  0.00    +0.028 A 
ENDBRANCH  25  30
ENDBRANCH   2  22
TORSDOF 5