REMARK  Name = BDB014871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.568   5.690  -0.241  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        1.308   4.908   0.025  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.409   3.523   0.060  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.171   2.801   0.410  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.286   1.356   0.081  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.676   0.310   0.115  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.113  -0.849  -0.248  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        1.166  -0.552  -0.534  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        1.458   0.757  -0.327  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        2.747   1.461  -0.518  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        2.692   2.805   0.240  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.239   5.496   0.194  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -1.960   0.530   0.490  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.223   1.483   0.709  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.080  -0.330   0.572  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -3.053  -1.684   0.218  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.193  -2.499   0.327  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -4.117  -3.952  -0.040  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.377  -1.955   0.830  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -5.426  -0.613   1.195  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.289   0.189   1.067  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1        2.050  -1.611  -0.983  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.356  -2.591   0.138  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.346  -3.628  -0.322  0.00  0.00    +0.212 C 
ATOM     25  O   LIG    1        3.957  -3.581  -1.382  0.00  0.00    -0.276 OA
ATOM     26  N   LIG    1        3.558  -4.639   0.570  0.00  0.00    -0.329 N 
ATOM     27  H   LIG    1        4.158  -5.396   0.268  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        2.922  -4.818   1.336  0.00  0.00    +0.145 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5