REMARK  Name = BDB049090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.638  -0.548   0.322  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -4.439  -1.962  -0.032  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -2.924  -2.254   0.152  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -2.396  -0.970   0.840  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -3.325   0.097   0.244  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.922  -0.681   0.643  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.079  -0.600   1.754  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.290  -0.337   1.602  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        1.878  -0.146   0.342  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.018  -0.236  -0.762  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -0.353  -0.494  -0.620  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        3.243   0.092   0.211  0.00  0.00    -0.330 N 
ATOM     13  C   LIG    1        3.916  -0.065  -1.078  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1        5.394  -0.382  -0.853  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1        6.114   0.674   0.005  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1        5.117   1.628   0.681  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        3.927   0.866   1.255  0.00  0.00    +0.106 C 
BRANCH  15  18
ATOM     18  C   LIG    1        7.138   1.449  -0.833  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1        8.261   0.763  -1.293  0.00  0.00    -0.307 N 
ATOM     20  C   LIG    1        9.243   1.509  -2.067  0.00  0.00    +0.131 C 
ATOM     21  C   LIG    1        8.709  -0.532  -0.800  0.00  0.00    +0.131 C 
ATOM     22  O   LIG    1        6.954   2.637  -1.108  0.00  0.00    -0.275 OA
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  23
ATOM     23  N   LIG    1       -2.531  -3.547   0.751  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -2.948  -3.715   2.142  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -2.991  -4.676  -0.058  0.00  0.00    +0.104 C 
ENDBRANCH   3  23
BRANCH   1  26
ATOM     26  C   LIG    1       -5.687   0.097  -0.467  0.00  0.00    +0.122 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -4.968   2.794  -1.691  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.796   2.671  -0.442  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1       -6.138   1.419   0.116  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.936   1.398   1.270  0.00  0.00    +0.128 A 
ATOM     31  F   LIG    1       -7.308   0.226   1.807  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.380   2.567   1.880  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -7.031   3.797   1.338  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -6.249   3.848   0.183  0.00  0.00    +0.004 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 6