REMARK  Name = BDB042648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.485  -2.278  -0.086  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.358  -2.267   0.980  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        1.421  -1.284   2.055  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1        2.199  -0.030   1.549  0.00  0.00    +0.129 C 
ATOM      5  N   LIG    1        3.545  -0.399   1.039  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1        3.596  -1.646   0.215  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1        2.239  -2.034   3.116  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        3.113  -3.014   2.310  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        2.721  -2.767   0.847  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1        0.743  -2.871  -1.132  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.315   0.648   0.515  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1        4.979   0.460  -0.647  0.00  0.00    -0.239 NA
ATOM     13  C   LIG    1        5.740   1.467  -1.144  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1        5.895   2.692  -0.526  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1        5.233   2.888   0.679  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        4.445   1.858   1.202  0.00  0.00    +0.045 A 
BRANCH  14  17
ATOM     17  C   LIG    1        6.713   3.707  -1.106  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        7.375   4.535  -1.577  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  C   LIG    1       -0.823  -1.539   0.121  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.768  -1.724  -1.066  0.00  0.00    +0.062 C 
BRANCH  20  28
ATOM     21  C   LIG    1       -4.033   2.636  -3.156  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.940   2.042  -2.112  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -4.601   0.877  -1.390  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -5.506   0.380  -0.430  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -5.159  -0.846   0.331  0.00  0.00    +0.257 A 
ATOM     26  N   LIG    1       -3.945  -1.424   0.041  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1       -3.743  -2.272   0.557  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -3.049  -0.947  -0.886  0.00  0.00    +0.020 A 
ATOM     29  O   LIG    1       -5.910  -1.318   1.177  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -6.725   1.015  -0.180  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -7.041   2.157  -0.895  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1       -8.205   2.779  -0.667  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -3.336   0.155  -1.597  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1       -6.169   2.672  -1.851  0.00  0.00    +0.042 A 
ENDBRANCH  20  28
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5