REMARK  Name = BDB047712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.122   1.660  -1.596  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.215   2.349  -1.330  0.00  0.00    +0.082 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.706   2.136   0.102  0.00  0.00    +0.232 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.902   0.750   0.383  0.00  0.00    -0.492 OA
BRANCH   4   8
ATOM      5  C   LIG    1       -5.496  -1.258  -0.326  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -5.371   0.068  -0.757  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -4.186   0.782  -0.541  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.112   0.180   0.111  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -3.234  -1.145   0.538  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.415  -1.860   0.325  0.00  0.00    +0.007 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -6.780  -2.022  -0.545  0.00  0.00    +0.046 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.896  -1.605   0.408  0.00  0.00    +0.125 C 
BRANCH  12  14
ATOM     13  O   LIG    1       -7.777  -1.201   2.799  0.00  0.00    -0.251 OA
ATOM     14  C   LIG    1       -7.614  -1.944   1.845  0.00  0.00    +0.305 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -7.228  -3.220   2.034  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -7.112  -3.284   3.006  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   4   8
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        1.135   2.306  -0.812  0.00  0.00    -0.490 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.308   1.598  -0.864  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1        2.699   0.781   0.203  0.00  0.00    +0.086 A 
ATOM     20 CL   LIG    1        1.701   0.583   1.597  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1        3.914   0.097   0.148  0.00  0.00    +0.070 A 
ATOM     22  C   LIG    1        4.749   0.261  -0.960  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        4.359   1.076  -2.026  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        3.144   1.758  -1.972  0.00  0.00    +0.051 A 
BRANCH  22  25
ATOM     25  O   LIG    1        5.944  -0.408  -1.094  0.00  0.00    -0.456 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.808  -0.384  -0.023  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        7.119   0.788   0.675  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        8.034   0.743   1.728  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        8.639  -0.465   2.060  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        9.520  -0.505   3.069  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        8.352  -1.630   1.357  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        7.436  -1.589   0.305  0.00  0.00    +0.049 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12