REMARK  Name = BDB049924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250  -0.605  -0.082  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.402  -0.310  -0.770  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.556  -0.375  -1.770  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.360   0.085   0.131  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.732  -0.011   1.362  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.449   0.312   2.523  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.784   0.716   2.398  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.395   0.805   1.142  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.688   0.500  -0.034  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.436  -0.438   1.218  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        4.258   0.574  -1.403  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        3.648   0.122  -2.367  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.465   1.191  -1.568  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.895   1.770  -0.862  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.779   1.314  -2.522  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -1.243  -0.443  -2.129  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -1.022  -1.098  -0.753  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -0.899  -2.623  -0.954  0.00  0.00    +0.035 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -2.186  -0.904   0.144  0.00  0.00    -0.305 NA
ATOM     20  H   LIG    1       -1.881  -1.232   1.065  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.613   0.485   0.297  0.00  0.00    +0.085 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.673   0.512   1.360  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -4.797   1.516   1.290  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.080   0.057   1.058  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5