REMARK  Name = BDB024069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.735   0.661   2.391  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        0.307   0.588   1.121  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.115   0.619   0.757  0.00  0.00    -0.024 A 
ATOM      4  C   LIG    1       -1.521   1.414  -0.319  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -2.866   1.460  -0.723  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.240   2.368  -1.859  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -3.802   0.638  -0.074  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -3.426  -0.116   1.051  0.00  0.00    -0.008 A 
ATOM      9  C   LIG    1       -4.411  -0.920   1.850  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1       -2.074  -0.143   1.433  0.00  0.00    +0.015 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -5.109   0.651  -0.484  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.480  -0.385  -1.413  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -6.717  -1.082  -0.814  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.964   0.310  -2.700  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -4.454  -1.490  -1.787  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1       -4.376  -2.609  -1.300  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.568  -1.121  -2.737  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -2.964  -1.889  -2.803  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  19
ATOM     19  C   LIG    1        2.159   0.631   2.813  0.00  0.00    +0.189 C 
ATOM     20  O   LIG    1        2.452   0.364   3.974  0.00  0.00    -0.287 OA
BRANCH  19  27
ATOM     21  C   LIG    1        7.171  -0.783  -0.467  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        6.151  -0.991   0.459  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        5.199   0.018   0.710  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.269   1.254   0.031  0.00  0.00    +0.073 A 
ATOM     25  N   LIG    1        4.391   2.247   0.246  0.00  0.00    -0.235 NA
ATOM     26  C   LIG    1        3.406   2.041   1.152  0.00  0.00    +0.141 A 
ATOM     27  C   LIG    1        3.234   0.854   1.841  0.00  0.00    +0.059 A 
ATOM     28 CL   LIG    1        2.416   3.429   1.376  0.00  0.00    -0.061 Cl
ATOM     29  C   LIG    1        6.291   1.437  -0.887  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.160  -0.167   1.632  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        7.233   0.435  -1.140  0.00  0.00    +0.048 A 
BRANCH  21  33
ATOM     32  C   LIG    1        8.159  -2.919  -0.116  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.150  -1.674  -0.804  0.00  0.00    -0.495 OA
ENDBRANCH  21  33
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 8