REMARK  Name = BDB015776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.022   0.450   0.805  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.282   1.665   0.308  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        0.278   2.311  -0.295  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -0.970   1.851  -0.441  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -1.213   0.631   0.071  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.240  -0.104   0.721  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.608   0.146  -0.068  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.852  -1.134  -0.411  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.140  -1.628  -0.563  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.310  -3.024  -0.935  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.271  -0.833  -0.386  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -6.431  -1.216  -0.504  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -5.009   0.586  -0.032  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.753   1.027   0.109  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.010  -0.264   1.500  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        2.026  -1.238   1.216  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.345   0.330   1.550  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.133   0.158   0.247  0.00  0.00    +0.018 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.129  -2.127   0.813  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        4.367  -1.288  -0.201  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  21
ATOM     21  O   LIG    1        0.615   3.551  -0.794  0.00  0.00    -0.466 OA
ATOM     22  C   LIG    1       -0.469   4.208  -1.435  0.00  0.00    +0.280 C 
ENDBRANCH   3  21
TORSDOF 6