REMARK  Name = BDB022913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.392  -3.999  -2.203  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.322  -2.654  -2.023  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.247  -1.898  -0.880  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.492  -1.298  -1.050  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.103  -1.410  -2.116  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.578  -1.821   0.334  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.964  -1.328  -0.011  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.563  -1.850  -1.139  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.828  -1.388  -1.400  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.450  -0.475  -0.632  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        3.790  -0.007   0.441  0.00  0.00    +0.221 A 
ATOM     12  N   LIG    1        2.555  -0.412   0.783  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        1.854  -2.896  -1.936  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.080  -0.463   0.096  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.619  -0.332  -0.047  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.036   0.777  -1.046  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -3.315   2.051  -0.871  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -3.758   3.026  -1.869  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -1.868   1.848  -0.957  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.391   0.908   0.149  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.282  -0.234   1.329  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.708  -1.414   1.964  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.300  -1.377   3.228  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.470  -0.160   3.881  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.047   1.018   3.271  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.456   0.982   2.005  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.347   0.969   1.283  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        3.555   1.346   1.794  0.00  0.00    +0.156 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.379   1.792   0.968  0.00  0.00    +0.123 A 
ATOM     30  N   LIG    1        6.625   1.391   0.536  0.00  0.00    -0.253 N 
ATOM     31  C   LIG    1        7.165   0.055   0.443  0.00  0.00    +0.174 C 
ATOM     32  N   LIG    1        7.461   2.430   0.293  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1        6.742   3.501   0.627  0.00  0.00    +0.136 A 
ATOM     34  C   LIG    1        5.455   3.164   1.077  0.00  0.00    +0.065 A 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4