REMARK  Name = BDB061605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.122   1.727  -2.105  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.447   2.010   1.654  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.710   1.166   0.655  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.877  -0.226   0.586  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.078  -1.000  -0.272  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.151  -2.500  -0.294  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.204  -0.352  -1.158  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.085   1.043  -1.165  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -1.826   1.789  -0.240  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -3.748  -0.858   1.433  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.124  -0.991   1.005  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.467  -2.482   1.149  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.452  -0.530  -0.427  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -6.014  -0.245   2.017  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.681   0.245   3.086  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.317  -0.185   1.657  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.737   0.290   2.405  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.184   1.894  -1.514  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        2.217   0.949  -1.542  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        2.191  -0.102  -2.167  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        3.211   1.473  -0.729  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        2.695   2.638  -0.273  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        1.507   2.943  -0.692  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.474   0.911  -0.422  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.372   1.563   0.435  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        6.623   1.005   0.736  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        7.015  -0.217   0.192  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1        6.136  -0.877  -0.660  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        4.884  -0.317  -0.961  0.00  0.00    +0.030 A 
BRANCH  27  30
ATOM     30  O   LIG    1        8.255  -0.637   0.572  0.00  0.00    -0.406 OA
BRANCH  30  31
ATOM     31  C   LIG    1        8.722  -1.873   0.057  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1        7.921  -2.892   0.435  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        8.805  -1.838  -1.290  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1        9.959  -2.106   0.548  0.00  0.00    -0.133 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 9