REMARK  Name = BDB045977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.944   0.509  -0.876  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -0.815  -0.075  -0.315  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.165   0.404   0.680  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.059  -0.622   0.917  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        0.846  -1.757   0.049  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        0.218   1.514   1.176  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.391  -1.365  -0.688  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -1.077  -2.110  -1.633  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -2.209  -1.546  -2.213  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.634  -0.258  -1.840  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -2.014   2.602   0.439  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -1.147   2.388   0.928  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -2.383   3.536   0.554  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -2.520   1.851  -0.575  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -3.463   2.287  -1.230  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        2.237  -0.508   1.768  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.331   0.363   1.142  0.00  0.00    +0.174 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.045   1.753   1.271  0.00  0.00    -0.393 OA
ATOM     19  H   LIG    1        2.074   1.871   1.204  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4