REMARK  Name = BDB028170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.835   0.454   0.333  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1       -0.383  -0.223   0.155  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.561   0.489  -0.114  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.521   1.877  -0.206  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.761   2.618  -0.487  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -3.894   1.858  -0.644  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.760   2.351  -0.840  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.969   0.502  -0.566  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.770   3.840  -0.573  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.316   2.564  -0.035  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.878  -0.167  -0.317  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.856   1.852   0.230  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        5.599  -1.323   0.654  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        4.142  -1.082   0.780  0.00  0.00    +0.060 A 
ATOM     15  N   LIG    1        3.385  -1.896   1.522  0.00  0.00    -0.179 NA
ATOM     16  N   LIG    1        2.151  -1.381   1.413  0.00  0.00    -0.277 N 
ATOM     17  H   LIG    1        1.404  -1.830   1.930  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1        2.071  -0.275   0.605  0.00  0.00    +0.066 A 
ATOM     19  C   LIG    1        3.372  -0.052   0.195  0.00  0.00    +0.052 A 
ENDBRANCH   1  18
BRANCH  11  20
ATOM     20  C   LIG    1       -2.953  -1.694  -0.228  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.325  -2.170  -0.434  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -4.926  -1.683   0.236  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -4.647  -1.805  -1.334  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3