REMARK  Name = BDB052409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.428   1.028   0.119  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.589   0.154   0.034  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.811   0.636   0.306  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.934  -0.280   0.246  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        3.019  -1.550  -0.242  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.971  -2.334  -0.852  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        4.259  -2.081  -0.127  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        4.991  -1.112   0.469  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        4.196   0.034   0.711  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.491   1.344   1.356  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.492   2.437   0.895  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        2.082   1.945   0.672  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        0.979   2.756   0.717  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.268   2.319   0.454  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        6.411  -1.309   0.796  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        7.114  -0.472   1.352  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.903  -2.530   0.428  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        7.857  -2.773   0.640  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.268  -3.195   0.001  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -1.684   0.483  -0.139  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1       -1.561  -0.486  -0.385  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -4.104   0.193  -0.404  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1       -2.955   1.031  -0.383  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -3.142   2.414  -0.545  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.403   2.964  -0.784  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.513   2.139  -0.857  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.365   0.767  -0.671  0.00  0.00    +0.006 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.173  -1.919   0.613  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -4.000  -1.315  -0.171  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -3.823  -2.044  -1.505  0.00  0.00    +0.012 C 
ENDBRANCH  22  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4