REMARK  Name = BDB050628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.911  -1.107   1.203  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -3.908  -0.026   1.131  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -3.288   1.156   0.675  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -4.002   2.334   0.513  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -5.365   2.321   0.818  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -5.975   1.145   1.270  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -7.284   1.161   1.556  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.880   0.807   0.459  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1       -0.932   1.651   0.025  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -5.260  -0.040   1.433  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.728  -0.595   0.814  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.470   1.287  -0.195  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        1.459   1.788   0.654  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.801   1.448   0.451  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.187   0.604  -0.605  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        2.180   0.114  -1.452  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        0.838   0.452  -1.253  0.00  0.00    +0.008 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.603   0.254  -0.819  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        5.022  -1.080  -0.973  0.00  0.00    +0.134 A 
ATOM     20  F   LIG    1        4.128  -2.079  -0.917  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        6.358  -1.414  -1.175  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        7.304  -0.402  -1.228  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1        8.592  -0.712  -1.423  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        6.934   0.929  -1.084  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.590   1.256  -0.881  0.00  0.00    +0.014 A 
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   1  26
ATOM     26  C   LIG    1       -3.201  -2.491   1.668  0.00  0.00    +0.156 C 
BRANCH  26  28
ATOM     27  O   LIG    1       -4.248  -3.003  -0.506  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -3.971  -3.299   0.643  0.00  0.00    +0.309 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -4.353  -4.496   1.140  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -4.821  -4.920   0.389  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 5