REMARK  Name = BDB061959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.867   0.587  -1.019  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -1.108   0.542  -0.040  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.440   0.750  -1.413  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.780   0.708  -2.592  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.393   0.966  -0.339  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        2.765   1.051  -0.495  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1        3.295   1.244   0.748  0.00  0.00    -0.266 N 
ATOM      8  N   LIG    1        2.357   1.323   1.714  0.00  0.00    -0.179 NA
ATOM      9  C   LIG    1        1.210   1.147   1.051  0.00  0.00    +0.147 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.704   1.420   1.076  0.00  0.00    +0.178 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.441   0.105   1.096  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1        6.346  -0.225   0.076  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        7.023  -1.446   0.099  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.804  -2.348   1.139  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.905  -2.032   2.156  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.227  -0.813   2.135  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.899   0.321  -1.990  0.00  0.00    +0.139 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -5.714  -0.026   0.001  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -4.945  -1.168  -0.248  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -3.715  -1.056  -0.903  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.241   0.196  -1.320  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.007   1.338  -1.050  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -5.235   1.227  -0.393  0.00  0.00    +0.011 A 
BRANCH  18  26
ATOM     24  N   LIG    1       -7.539   0.925   1.254  0.00  0.00    -0.285 NA
ATOM     25  H   LIG    1       -8.419   0.686   1.713  0.00  0.00    +0.188 HD
ATOM     26  C   LIG    1       -7.032  -0.127   0.697  0.00  0.00    +0.116 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -7.711  -1.311   0.737  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -7.539  -1.940  -0.041  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -8.701  -1.238   0.936  0.00  0.00    +0.144 HD
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 7