REMARK  Name = BDB060963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.479   3.108   0.025  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.370   1.622   0.115  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -1.131   0.896  -0.205  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        0.013   1.490  -0.589  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -1.415  -0.538  -0.019  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -2.761  -0.609   0.388  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -3.363  -1.833   0.644  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.595  -2.984   0.495  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -1.258  -2.926   0.096  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1       -3.152  -4.178   0.742  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.657  -1.692  -0.167  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.335   0.746   0.469  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        1.277   0.831  -0.922  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        2.223   0.577   0.080  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.437  -0.060  -0.223  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        3.685  -0.434  -1.552  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.746  -0.177  -2.554  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.544   0.455  -2.240  0.00  0.00    +0.008 A 
BRANCH  15  19
ATOM     19  C   LIG    1        4.440  -0.334   0.884  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        5.771   0.378   0.630  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        4.653  -1.836   1.085  0.00  0.00    +0.012 C 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH  12  22
ATOM     22  C   LIG    1       -4.738   1.003   0.908  0.00  0.00    +0.156 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.762   0.761  -0.192  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1       -5.522   0.498  -1.359  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -7.036   0.885   0.262  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -7.105   1.107   1.209  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  12  22
TORSDOF 5