REMARK  Name = BDB004847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.228   2.394   2.689  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.768   0.971   2.853  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.168  -0.178   2.510  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.181  -0.068   1.543  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.032  -1.143   1.244  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.859  -2.349   1.920  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        0.855  -2.482   2.881  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.016  -1.407   3.173  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.012  -0.931   0.251  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.022  -0.006  -0.159  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.005  -1.806  -0.150  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        4.264  -2.900   0.335  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.859  -1.308  -1.266  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        6.222  -1.630  -1.260  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        7.051  -1.180  -2.288  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.521  -0.418  -3.329  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.160  -0.112  -3.350  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.326  -0.558  -2.323  0.00  0.00    +0.013 A 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  19
ATOM     19  N   LIG    1       -2.102   0.788   2.262  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -2.469  -0.122   2.528  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.328   0.949   0.883  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -3.638   0.777   0.380  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -3.811   0.923  -1.011  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.110   0.740  -1.532  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -6.200   0.434  -0.694  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.024   0.310   0.674  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1       -2.759   1.234  -1.799  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -1.569   1.406  -1.213  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1       -4.754   0.482   1.206  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1       -1.306   1.285   0.086  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1       -5.434   0.856  -2.989  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -6.580   0.719  -3.406  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -4.422   1.117  -3.864  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -3.473   1.263  -3.532  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -4.635   1.219  -4.845  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6