REMARK  Name = BDB049241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.695   0.787   0.028  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -2.491   2.169  -0.410  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.985   2.216  -0.747  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -0.750   0.808  -1.373  0.00  0.00    +0.053 C 
ATOM      5  C   LIG    1       -1.991  -0.020  -0.973  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.538   0.146  -0.947  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1        1.539  -0.411  -1.808  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        2.554  -0.916  -0.998  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1        3.685  -1.538  -1.395  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        3.789  -1.635  -2.739  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        2.861  -1.174  -3.661  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1        2.204  -0.671   0.303  0.00  0.00    -0.323 N 
ATOM     13  C   LIG    1        1.704  -0.548  -3.198  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.977  -0.062   0.351  0.00  0.00    +0.092 A 
BRANCH  12  15
ATOM     15  C   LIG    1        3.003  -1.067   1.451  0.00  0.00    +0.219 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.103  -0.064   1.769  0.00  0.00    +0.235 C 
ATOM     17  N   LIG    1        5.205  -0.532   2.495  0.00  0.00    -0.306 N 
ATOM     18  C   LIG    1        6.347   0.354   2.651  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        5.439  -1.937   2.788  0.00  0.00    +0.131 C 
ATOM     20  O   LIG    1        4.006   1.125   1.452  0.00  0.00    -0.274 OA
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   4   6
BRANCH   3  21
ATOM     21  N   LIG    1       -0.609   3.366  -1.617  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -0.929   4.644  -0.969  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        0.827   3.344  -1.927  0.00  0.00    +0.104 C 
ENDBRANCH   3  21
BRANCH   1  24
ATOM     24  C   LIG    1       -4.112   0.452   0.184  0.00  0.00    +0.122 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -5.137  -2.033  -1.254  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.794  -2.034   0.210  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -4.331  -0.878   0.876  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.059  -0.963   2.252  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -3.650   0.123   2.925  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.218  -2.150   2.960  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.661  -3.289   2.300  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.949  -3.230   0.936  0.00  0.00    +0.004 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6