REMARK  Name = BDB042630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.258   0.526   0.895  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.645  -0.768   0.334  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -1.155  -0.697  -1.054  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.427   0.188  -1.223  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1       -3.510  -0.213  -0.300  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -3.087  -0.646   1.052  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1       -1.494  -2.176  -1.281  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -1.903  -2.687   0.105  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -1.760  -1.461   1.018  0.00  0.00    +0.074 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.680   0.555  -0.313  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -5.311   0.805   0.859  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -6.457   1.530   0.851  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -7.042   2.034  -0.294  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -6.413   1.769  -1.502  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.231   1.022  -1.509  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.251   2.789  -0.226  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       -9.232   3.406  -0.170  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   5  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.438   0.406   2.261  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.568  -0.631   2.362  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1        6.618   1.087   2.111  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.184   0.593   0.757  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        4.889   0.080   0.519  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        4.549  -0.367  -0.777  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        3.188  -0.905  -1.026  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1        2.350  -0.951   0.064  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        1.407  -1.298  -0.115  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        2.654  -0.497   1.323  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        2.807  -1.283  -2.127  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.483  -0.302  -1.809  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        5.194  -0.717  -3.050  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.757   0.202  -1.577  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        3.873  -0.002   1.582  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        7.107   0.647  -0.303  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6