REMARK  Name = BDB049913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603   0.574  -0.169  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        0.469  -0.005   0.463  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        0.452  -0.591   1.290  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.613   0.356  -0.204  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.165   1.167  -1.235  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.097   1.728  -2.120  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.457   1.456  -1.925  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.884   0.633  -0.876  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.963   0.048   0.010  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.203   1.286  -1.205  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.332  -0.842   1.140  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        2.503  -1.171   1.983  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.612  -1.315   1.199  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.258  -1.266   0.426  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.804  -1.998   1.921  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -2.198   0.867   1.731  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -2.025   0.395   0.286  0.00  0.00    +0.053 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.472  -1.065   0.074  0.00  0.00    +0.026 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.947  -1.351   0.373  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.864  -0.626  -0.495  0.00  0.00    -0.330 NA
ATOM     21  H   LIG    1       -4.614  -0.784  -1.472  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -4.781   0.379  -0.345  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5