REMARK  Name = BDB042452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.814  -1.871   0.093  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.076  -1.101   1.058  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.339  -0.740   0.602  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.727  -0.755  -0.815  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.251  -0.863  -1.018  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        3.961   0.166  -0.230  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        3.632   0.087   1.217  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        2.113   0.188   1.438  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1       -0.305  -0.832   2.200  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.326   0.358  -0.488  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        6.133  -0.512  -1.230  0.00  0.00    +0.135 A 
ATOM     12  N   LIG    1        7.452  -0.331  -1.500  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1        8.021   0.795  -1.015  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1        7.324   1.739  -0.278  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        5.970   1.512  -0.022  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.416   0.977  -1.311  0.00  0.00    +0.119 C 
ATOM     17  N   LIG    1       10.543   1.162  -1.527  0.00  0.00    -0.189 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.189  -2.215   0.679  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -6.628  -0.770  -1.925  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.261   0.287  -0.920  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -5.128   0.176  -0.084  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -4.851   1.209   0.835  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.662   1.100   1.718  0.00  0.00    +0.257 A 
ATOM     24  N   LIG    1       -2.900  -0.035   1.574  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.083  -0.100   2.187  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.149  -1.046   0.677  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -3.382   1.980   2.525  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.672   2.334   0.933  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -6.778   2.429   0.107  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -7.575   3.502   0.188  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.218  -0.980  -0.133  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.078   1.426  -0.810  0.00  0.00    +0.042 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5