REMARK  Name = BDB051742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.415   0.877   0.966  0.00  0.00    -0.258 N 
ATOM      2  C   LIG    1       -0.282   1.596   0.709  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.072   1.165   0.408  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.075   2.118   0.494  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        1.798   3.519   0.979  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.364   4.019   0.667  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        3.326   1.651   0.188  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        3.563   0.384  -0.199  0.00  0.00    -0.223 NA
ATOM      9  C   LIG    1        2.520  -0.455  -0.270  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        1.261  -0.104   0.020  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1       -0.640   2.927   0.834  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.033   2.931   1.117  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1       -2.490   1.667   1.184  0.00  0.00    -0.165 NA
ENDROOT
BRANCH   1  19
ATOM     14  C   LIG    1       -6.392  -2.666   0.939  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -5.117  -2.965   0.189  0.00  0.00    +0.212 C 
ATOM     16  N   LIG    1       -3.996  -2.221   0.529  0.00  0.00    -0.302 N 
ATOM     17  C   LIG    1       -2.769  -2.414  -0.241  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1       -1.973  -1.123  -0.354  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -1.582  -0.576   1.027  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -2.554  -1.019   2.140  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -3.966  -1.230   1.608  0.00  0.00    +0.110 C 
ATOM     22  O   LIG    1       -5.098  -3.841  -0.675  0.00  0.00    -0.276 OA
ENDBRANCH   1  19
BRANCH  12  23
ATOM     23  C   LIG    1       -2.937   4.075   1.315  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1       -3.949   4.056   2.010  0.00  0.00    -0.269 OA
ATOM     25  N   LIG    1       -2.614   5.216   0.623  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.346   5.914   0.622  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -2.055   5.139  -0.214  0.00  0.00    +0.145 HD
ENDBRANCH  12  23
BRANCH   9  28
ATOM     28  N   LIG    1        2.682  -1.768  -0.658  0.00  0.00    -0.311 N 
ATOM     29  H   LIG    1        1.764  -2.114  -0.909  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        3.758  -2.180  -1.544  0.00  0.00    +0.073 C 
ATOM     31  C   LIG    1        3.799  -1.434  -2.881  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1        5.274  -1.437  -3.253  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        5.972  -1.233  -1.917  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1        5.163  -2.077  -0.936  0.00  0.00    +0.022 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4