REMARK  Name = BDB017842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.038  -0.074   0.677  0.00  0.00    -0.287 NA
ATOM      2  C   LIG    1       -0.370   1.236   0.566  0.00  0.00    +0.139 C 
ATOM      3  C   LIG    1        1.032   1.001   0.131  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.753  -0.145   0.374  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        1.161  -1.238   1.081  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1        1.759  -2.350   1.370  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1        3.033  -2.720   1.049  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        3.256  -3.654   1.383  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1        4.112  -2.170   0.385  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1        4.133  -0.830  -0.227  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        5.287  -0.359  -0.881  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        5.320   0.910  -1.465  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        4.206   1.754  -1.421  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        3.066   1.274  -0.768  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1        5.138  -2.854   0.301  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        3.023   0.007  -0.178  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        1.832   1.862  -0.567  0.00  0.00    -0.356 N 
ATOM     18  H   LIG    1        1.573   2.783  -0.895  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -0.287  -1.010   1.568  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -2.899   1.183   1.894  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1       -2.486  -0.028   1.042  0.00  0.00    +0.074 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.390  -0.246  -0.241  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -3.294   0.903  -1.259  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -4.865  -0.453   0.139  0.00  0.00    +0.029 C 
BRANCH  22  25
ATOM     25  N   LIG    1       -2.943  -1.487  -0.915  0.00  0.00    -0.324 NA
ATOM     26  H   LIG    1       -3.272  -1.506  -1.878  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -1.920  -1.444  -0.962  0.00  0.00    +0.119 HD
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 3