REMARK  Name = BDB048318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.881   4.617  -1.451  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.597   3.393  -0.937  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.810   2.332  -0.505  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.359   2.475  -0.262  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.700   1.146  -0.172  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.329   0.783  -0.074  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.203  -0.547  -0.012  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.458  -1.032  -0.075  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.390  -0.047  -0.161  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.864  -0.174  -0.254  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.494   1.182   0.124  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.828   3.360  -0.927  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.661   1.710  -0.036  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.392   2.685  -0.036  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.070   1.575  -0.020  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.736   0.353  -0.184  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        4.141   0.247  -0.133  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        4.882   1.416   0.092  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.243   2.643   0.261  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.851   2.718   0.208  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.807  -1.056  -0.304  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        4.394  -2.181   0.421  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.051  -3.387   0.231  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        6.082  -3.555  -0.622  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        6.468  -2.466  -1.318  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        5.874  -1.218  -1.195  0.00  0.00    +0.028 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.666  -2.474  -0.065  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.612  -3.037   1.325  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.127  -4.429   1.595  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.864  -3.238   2.142  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5