REMARK  Name = BDB044070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.732   0.887  -0.337  0.00  0.00    -0.017 C 
ATOM      2  C   LIG    1       -0.544   0.603  -0.683  0.00  0.00    -0.014 C 
ATOM      3  C   LIG    1       -0.966  -0.729  -1.183  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -2.003  -1.475  -0.584  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1       -2.354  -2.719  -1.154  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.710  -3.210  -2.290  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.713  -2.459  -2.894  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.840  -1.036   0.606  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1       -2.411   0.175   1.441  0.00  0.00    +0.040 C 
ATOM     10  C   LIG    1       -2.449   1.464   0.657  0.00  0.00    -0.039 A 
ATOM     11  C   LIG    1       -3.386   2.462   0.952  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.412   3.645   0.211  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.505   3.841  -0.830  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.566   2.853  -1.131  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -0.353  -1.226  -2.351  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.532   1.666  -0.389  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        1.942  -0.016  -0.351  0.00  0.00    +0.043 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.607  -0.067   1.038  0.00  0.00    +0.088 C 
BRANCH  18  20
ATOM     19  C   LIG    1        4.895  -0.505   0.318  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        3.760  -0.986   1.107  0.00  0.00    -0.308 NA
ATOM     21  C   LIG    1        4.170  -1.167   2.503  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 3