REMARK  Name = BDB031110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.190   0.529   0.061  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1        3.477   1.972  -0.234  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1        2.531   2.743  -0.826  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.260   2.226  -1.178  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.030   0.885  -0.924  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -0.248   0.606  -1.374  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -0.733   1.824  -1.813  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        0.211   2.810  -1.714  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        1.972   0.060  -0.308  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.901  -0.685  -1.327  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -2.012  -0.712  -0.558  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1       -2.689  -1.871  -0.456  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.279  -3.015  -1.137  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.135  -2.972  -1.930  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.428  -1.782  -2.030  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1       -3.869  -1.940   0.304  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.803  -2.741   0.930  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.196  -0.716   1.055  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -5.386  -0.946   1.983  0.00  0.00    +0.201 C 
ATOM     20  F   LIG    1       -4.974  -1.468   3.165  0.00  0.00    -0.242 F 
ATOM     21  C   LIG    1       -5.936   0.456   2.164  0.00  0.00    +0.119 C 
ATOM     22  N   LIG    1       -5.875   1.044   0.824  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -5.781   2.058   0.874  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.691   0.447   0.171  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  26
ATOM     25  C   LIG    1        4.040  -1.889   0.422  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1        4.222  -0.391   0.757  0.00  0.00    +0.184 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.148  -0.254   2.312  0.00  0.00    +0.422 C 
ATOM     28  F   LIG    1        2.946  -0.679   2.778  0.00  0.00    -0.167 F 
ATOM     29  F   LIG    1        5.094  -1.008   2.923  0.00  0.00    -0.167 F 
ATOM     30  F   LIG    1        4.310   1.018   2.738  0.00  0.00    -0.167 F 
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  O   LIG    1        5.534  -0.078   0.239  0.00  0.00    -0.376 OA
ATOM     32  H   LIG    1        5.517  -0.234  -0.722  0.00  0.00    +0.211 HD
ENDBRANCH  26  31
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1        4.825   2.582   0.115  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1        4.778   4.006   0.132  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        4.268   4.257   0.922  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH   2  33
TORSDOF 8