REMARK  Name = BDB014878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.277   4.233   1.431  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.865   3.965   0.978  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.545   2.661   0.619  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.180   2.460   0.096  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.823   1.017   0.086  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.409   0.364  -0.183  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.261  -0.962  -0.088  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.026  -1.160   0.255  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -1.721   0.005   0.349  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.144   0.210   0.705  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.560   1.637   0.285  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.042   4.880   0.945  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.505  -2.517   0.487  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1       -1.009  -3.050   1.833  0.00  0.00    +0.035 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -1.124  -3.447  -0.670  0.00  0.00    +0.182 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.840  -4.679  -0.570  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1       -1.517  -5.247  -1.291  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        1.533   1.054  -0.498  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        1.472   2.064  -0.502  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.855   0.630  -0.770  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.271  -0.706  -0.735  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        4.596  -1.075  -1.022  0.00  0.00    -0.049 A 
ATOM     23  C   LIG    1        4.996  -2.521  -1.000  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.518  -0.089  -1.381  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.127   1.246  -1.429  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.809   1.599  -1.126  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5