REMARK  Name = BDB013868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.581  -1.369   0.338  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -1.292  -1.560  -0.629  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -1.780   0.918  -0.561  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.727   0.015   0.521  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.942   0.590   1.778  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -2.149   1.909   2.025  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -2.164   2.727   0.961  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -1.992   2.287  -0.335  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -1.738   1.287  -2.941  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -1.600   0.537  -1.989  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -1.242  -0.747  -2.195  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -1.167  -0.789  -3.173  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1       -0.857  -2.188   1.321  0.00  0.00    +0.146 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.681  -2.024   1.322  0.00  0.00    +0.195 C 
ATOM     15  O   LIG    1        1.063  -0.728   1.854  0.00  0.00    -0.487 OA
ATOM     16  C   LIG    1        1.608  -0.066   0.786  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        1.779  -0.853  -0.340  0.00  0.00    -0.002 A 
ATOM     18  C   LIG    1        2.306  -0.322  -1.503  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        2.647   1.033  -1.515  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.466   1.827  -0.369  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        1.943   1.272   0.800  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.355  -2.239  -0.044  0.00  0.00    +0.085 C 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5