REMARK  Name = BDB047010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.593  -0.952  -0.181  0.00  0.00    -0.310 NA
ATOM      2  H   LIG    1       -0.845  -1.321   0.737  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.742  -1.417  -0.563  0.00  0.00    +0.094 C 
BRANCH   3   7
ATOM      4  N   LIG    1        3.752   0.448   0.159  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        2.377   0.477  -0.071  0.00  0.00    +0.220 C 
ATOM      6  O   LIG    1        1.750   1.430  -0.502  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        1.812  -0.864   0.377  0.00  0.00    +0.090 C 
ATOM      8  C   LIG    1        3.072  -1.740   0.408  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        4.159  -0.767   0.816  0.00  0.00    +0.108 C 
BRANCH   4  11
ATOM     10  C   LIG    1        4.590   2.384   1.439  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        4.590   1.632   0.119  0.00  0.00    +0.104 C 
ENDBRANCH   4  11
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -1.607  -1.403  -1.141  0.00  0.00    +0.136 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.001  -1.002  -0.701  0.00  0.00    +0.056 A 
ATOM     14  N   LIG    1       -3.749  -1.942  -0.068  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1       -4.980  -1.583   0.356  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1       -5.513  -0.319   0.188  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -4.728   0.637  -0.454  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -3.451   0.298  -0.902  0.00  0.00    +0.039 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.210   2.018  -0.682  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1       -4.619   2.892  -1.287  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -6.420   2.243  -0.139  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.601   3.181  -0.360  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 7