REMARK  Name = BDB056608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.912  -0.206   0.188  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.880   0.763  -0.754  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.297   1.331  -1.120  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        1.497   0.917  -0.539  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.450  -0.089   0.421  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        2.742  -0.325   0.831  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        3.003  -1.038   1.499  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        3.611   0.507   0.171  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.863   1.283  -0.691  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.248  -0.680   0.807  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.154   0.558   0.354  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        6.013  -0.155   1.239  0.00  0.00    +0.174 A 
ATOM     13  N   LIG    1        7.300   0.213   1.047  0.00  0.00    -0.167 NA
ATOM     14  N   LIG    1        7.245   1.131   0.070  0.00  0.00    -0.273 N 
ATOM     15  C   LIG    1        8.466   1.746  -0.395  0.00  0.00    +0.172 C 
ATOM     16  C   LIG    1        5.983   1.378  -0.375  0.00  0.00    +0.118 A 
BRANCH  12  17
ATOM     17  C   LIG    1        5.627  -1.153   2.290  0.00  0.00    +0.437 C 
ATOM     18  F   LIG    1        5.150  -0.546   3.412  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        6.643  -1.965   2.684  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        4.624  -1.979   1.868  0.00  0.00    -0.164 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1       -2.132  -0.811   0.571  0.00  0.00    -0.297 N 
ATOM     22  H   LIG    1       -2.204  -0.859   1.585  0.00  0.00    +0.154 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -6.042  -0.379  -1.000  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.842  -0.674   0.352  0.00  0.00    +0.093 A 
ATOM     25  C   LIG    1       -4.549  -0.803   0.871  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.429  -0.617   0.031  0.00  0.00    +0.075 A 
ATOM     27  C   LIG    1       -3.645  -0.350  -1.325  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -4.940  -0.222  -1.837  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -7.612   0.044  -2.734  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -7.355  -0.280  -1.373  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -4.250  -1.094   2.184  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -5.349  -1.312   3.060  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 6