REMARK  Name = BDB000751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.218   1.267   0.970  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.069   1.864   1.773  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.910   0.762   0.347  0.00  0.00    +0.252 C 
ATOM      4  O   LIG    1       -0.953  -0.106  -0.518  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        6.322   1.261  -0.937  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        5.645   0.083  -0.226  0.00  0.00    +0.007 C 
ATOM      7  C   LIG    1        4.275   0.473   0.258  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.315  -0.075  -0.593  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.964   0.177  -0.410  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.565   0.955   0.682  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        2.542   1.491   1.546  0.00  0.00    +0.024 A 
ATOM     12  N   LIG    1        3.878  -0.780  -1.685  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        3.332  -1.610  -1.905  0.00  0.00    +0.146 HD
ATOM     14  C   LIG    1        3.905   1.257   1.337  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        5.257  -1.037  -1.234  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1        6.543  -0.461   0.886  0.00  0.00    +0.017 C 
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  C   LIG    1       -2.189   1.345   0.826  0.00  0.00    +0.077 A 
ATOM     18  C   LIG    1       -3.303   0.523   1.067  0.00  0.00    +0.131 A 
ATOM     19  N   LIG    1       -4.469   1.054   1.510  0.00  0.00    -0.240 NA
ATOM     20  C   LIG    1       -4.553   2.395   1.664  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1       -3.512   3.268   1.413  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -2.306   2.733   0.984  0.00  0.00    +0.018 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -3.184  -0.874   0.971  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -2.579  -1.092   0.173  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.418  -1.643   0.937  0.00  0.00    +0.138 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.018  -1.664  -0.448  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1       -4.481  -2.478  -1.451  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -5.060  -2.450  -2.711  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1       -6.120  -1.679  -3.035  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -6.613  -0.889  -2.057  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -6.105  -0.847  -0.769  0.00  0.00    +0.025 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH   3  17
TORSDOF 5