REMARK  Name = BDB047167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.400   0.579  -0.587  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.169   0.164  -1.117  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.738   1.084  -1.668  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.379   2.436  -1.718  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.843   2.857  -1.196  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.726   1.934  -0.629  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.480  -0.256   0.541  0.00  0.00    +0.217 C 
ATOM      8  N   LIG    1       -2.235  -0.419  -0.046  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -1.875  -1.365  -0.088  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.072   0.804   0.711  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.053  -1.591   0.999  0.00  0.00    +0.096 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.500  -1.321   0.388  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.489  -1.504   1.512  0.00  0.00    +0.006 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  C   LIG    1        2.058   0.625  -2.246  0.00  0.00    +0.093 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.832  -0.312  -1.327  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        3.570   0.233  -0.157  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.251  -0.680   0.646  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        4.970  -0.249   1.768  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        5.006   1.107   2.087  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.326   2.026   1.290  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.207  -2.111   0.304  0.00  0.00    +0.272 A 
ATOM     22  O   LIG    1        4.791  -2.950   0.980  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        3.477  -2.444  -0.810  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1        3.444  -3.426  -1.066  0.00  0.00    +0.192 HD
ATOM     25  C   LIG    1        3.609   1.594   0.169  0.00  0.00    +0.010 A 
ATOM     26  N   LIG    1        2.801  -1.581  -1.614  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 5