REMARK  Name = BDB042636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.187   0.531   1.247  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.462  -0.886   0.874  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        2.587  -1.866   1.712  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.187  -1.514   1.534  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        1.021  -0.258   2.260  0.00  0.00    +0.094 C 
ATOM      6  C   LIG    1        1.742  -0.560   3.582  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        0.490  -1.915   0.415  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        0.961  -2.722  -0.386  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        2.788  -1.629   3.216  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1        1.754   0.870   1.476  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.236   3.502  -0.876  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        3.896   3.584  -0.553  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        3.222   2.626   0.131  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1        3.881   1.509   0.521  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        5.243   1.374   0.242  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        5.925   2.370  -0.464  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  N   LIG    1        6.402   5.405  -2.187  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        5.880   4.552  -1.598  0.00  0.00    +0.101 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  C   LIG    1       -0.897  -1.325   0.251  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.632  -1.939  -0.941  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.000  -1.332  -1.127  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -3.973  -1.692  -0.223  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -3.762  -2.349   0.520  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.279  -1.245  -0.237  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -6.074  -1.618   0.616  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -5.637  -0.305  -1.326  0.00  0.00    +0.082 A 
ATOM     27  C   LIG    1       -4.646   0.057  -2.254  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -4.964   0.942  -3.292  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -6.257   1.462  -3.403  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.235   1.099  -2.478  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -6.923   0.218  -1.444  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1       -7.894  -0.101  -0.578  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -3.293  -0.490  -2.130  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 5