REMARK  Name = BDB050627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.651  -1.839   0.020  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -2.764  -1.091   0.078  0.00  0.00    -0.016 C 
ATOM      3  C   LIG    1       -4.128  -1.619   0.182  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -4.971  -0.489   0.208  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -6.345  -0.641   0.301  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -6.855  -1.937   0.370  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -6.021  -3.061   0.346  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -8.180  -2.111   0.460  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.160   0.741   0.120  0.00  0.00    -0.028 C 
ATOM     10  C   LIG    1       -4.636  -2.907   0.252  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -2.871   0.358   0.038  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        2.376  -0.368  -0.291  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        1.815  -1.181  -1.290  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        0.502  -1.654  -1.185  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -0.283  -1.319  -0.078  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        0.268  -0.522   0.929  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        1.579  -0.049   0.820  0.00  0.00    +0.009 A 
BRANCH  12  21
ATOM     18  C   LIG    1        6.405   1.104  -0.620  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        5.344   1.987  -0.412  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        4.034   1.507  -0.301  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        3.754   0.135  -0.406  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.829  -0.739  -0.631  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        6.140  -0.261  -0.740  0.00  0.00    +0.015 A 
BRANCH  18  25
ATOM     24  C   LIG    1        8.862   0.855   0.589  0.00  0.00    +0.090 C 
ATOM     25  S   LIG    1        8.060   1.751  -0.767  0.00  0.00    -0.129 S 
ENDBRANCH  18  25
ENDBRANCH  12  21
ENDBRANCH   1  15
BRANCH   9  26
ATOM     26  C   LIG    1       -4.775   2.101   0.117  0.00  0.00    +0.156 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.814   3.273   0.296  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1       -2.793   3.263   0.966  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -4.241   4.402  -0.323  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -5.077   4.308  -0.815  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 6