REMARK  Name = BDB049383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.205  -0.161   0.025  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.462   1.017   0.199  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.084   0.921   0.438  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.167   1.921   0.629  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.005   1.322   0.804  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1        0.151  -0.050   0.749  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.478  -0.329   0.499  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.193  -1.519   0.322  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.569  -1.408   0.084  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.965  -1.317  -2.512  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.412  -0.590  -1.301  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.629  -0.091  -0.226  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.550   0.499   0.611  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.479   1.201   1.907  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.793   0.367   0.073  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.711  -0.320  -1.124  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.892  -1.046   0.926  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.662  -1.309  -0.375  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.761  -2.278  -0.205  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -2.267  -3.666  -0.063  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -3.428  -4.672   0.016  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -4.267  -4.587  -1.142  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -4.797  -3.260  -1.264  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -3.670  -2.222  -1.374  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -1.291   2.042   1.002  0.00  0.00    +0.080 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.704   2.765  -0.279  0.00  0.00    +0.063 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.060   3.400  -0.119  0.00  0.00    +0.042 A 
ATOM     28  N   LIG    1       -4.134   2.583  -0.251  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1       -5.356   3.137  -0.092  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -5.564   4.474   0.199  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.452   5.295   0.338  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -3.180   4.755   0.179  0.00  0.00    +0.023 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7