REMARK  Name = BDB047720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.526  -0.452   0.106  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.236   0.845   0.372  0.00  0.00    +0.270 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -1.161   0.690   1.447  0.00  0.00    -0.489 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.069  -0.632   0.901  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -4.225  -0.606  -0.207  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.906  -0.158  -0.077  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -2.421   0.238   1.170  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.263   0.163   2.284  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.580  -0.285   2.155  0.00  0.00    +0.049 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -6.332  -1.129   0.773  0.00  0.00    -0.475 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -7.176   0.608  -0.785  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -7.390  -0.175   0.518  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -7.617   0.764   1.710  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -8.653  -1.039   0.347  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -8.741  -2.256   0.403  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -9.775  -0.320   0.107  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1      -10.470  -1.008   0.026  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        1.472  -0.283  -0.949  0.00  0.00    -0.487 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.748   0.118  -0.656  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        3.653   0.165  -1.733  0.00  0.00    +0.086 A 
ATOM     21 CL   LIG    1        3.163  -0.263  -3.337  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        4.979   0.563  -1.544  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1        5.417   0.908  -0.266  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1        4.525   0.895   0.804  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        3.197   0.496   0.613  0.00  0.00    +0.051 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.696   1.343  -0.007  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.732   0.619  -0.550  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        8.751   1.341  -1.176  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        9.846   0.668  -1.717  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        9.919  -0.717  -1.612  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       10.972  -1.362  -2.130  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        8.920  -1.443  -0.971  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        7.823  -0.772  -0.428  0.00  0.00    +0.049 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11