REMARK  Name = BDB055167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.472  -0.107   2.963  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.233   1.090   2.315  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.323   0.212   1.188  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.265  -0.241   0.406  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.944   0.051   0.768  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.661   0.791   1.922  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -2.725   1.225   2.717  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.042   0.933   2.352  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.652   0.008   0.965  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -5.800   0.771  -1.353  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.170  -0.319  -0.331  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.697  -0.280  -0.125  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.851  -1.753  -0.828  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.334  -2.629  -0.148  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.221  -2.009  -2.108  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.676  -1.286  -2.575  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        0.818  -1.111   2.005  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.991  -1.001   1.315  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.265  -2.081   0.470  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.426  -2.107  -0.305  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.321  -1.035  -0.253  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.062   0.041   0.603  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.896   0.059   1.379  0.00  0.00    +0.046 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.551  -1.096  -1.081  0.00  0.00    +0.193 C 
ATOM     25  O   LIG    1        6.095  -2.181  -1.269  0.00  0.00    -0.287 OA
BRANCH  24  26
ATOM     26  C   LIG    1        6.140   0.125  -1.686  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        7.532   0.205  -1.807  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        8.121   1.333  -2.379  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.321   2.378  -2.842  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.932   2.293  -2.744  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.338   1.165  -2.172  0.00  0.00    +0.012 A 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10