REMARK  Name = BDB064499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.960   0.344   2.956  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.273  -0.481   1.906  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.983  -1.110   0.869  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.323  -1.948  -0.045  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.062  -2.732  -1.089  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.924  -2.044   0.014  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.188  -1.363   0.992  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -0.874  -0.594   1.940  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -4.344  -0.971   0.819  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.882   0.057  -0.048  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -5.837   0.885   0.827  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -3.866   0.999  -0.720  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -5.760  -0.625  -1.114  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.112  -1.794  -1.155  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.206   0.218  -2.073  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.755  -0.360  -2.645  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        1.321  -1.484   1.040  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.979  -1.014  -0.190  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.415  -1.376  -0.167  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        4.171  -0.876  -1.421  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        4.039   0.586  -1.587  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        2.622   1.010  -1.564  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        1.858   0.461  -0.335  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.899   1.352  -0.785  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        4.391   2.271   0.065  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        5.245   3.005   0.814  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        6.620   2.882   0.761  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.148   1.955  -0.122  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.282   1.190  -0.903  0.00  0.00    +0.043 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7