REMARK  Name = BDB060438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.050   0.050  -0.978  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.752  -0.026  -1.701  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.491  -0.038   0.331  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.201  -0.236   1.322  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -3.864  -0.894   3.151  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -3.878  -0.561   1.750  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -3.434  -1.217   1.125  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.895   0.178   1.210  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.846   0.391  -0.175  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.709   0.234  -1.043  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.906   0.094  -2.431  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.813  -0.103  -3.288  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.516  -0.121  -2.783  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.291   0.060  -1.419  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.291   0.142  -3.017  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.110   1.142  -2.228  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.385   0.266  -0.569  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.143   0.724  -0.768  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -5.837   0.564   1.905  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        1.970   0.054   0.499  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.579  -0.691   1.510  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        3.965  -0.626   1.691  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.780   0.184   0.877  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.139   0.948  -0.117  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        2.752   0.888  -0.306  0.00  0.00    +0.014 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.244   0.232   1.089  0.00  0.00    +0.071 A 
ATOM     27  N   LIG    1        6.661   0.012   2.363  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        7.988   0.050   2.615  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        8.948   0.292   1.650  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        8.521   0.506   0.347  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.156   0.475   0.061  0.00  0.00    +0.028 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3