REMARK  Name = BDB047180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779   1.236  -0.027  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.599  -0.012   0.286  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -3.046  -0.006  -0.062  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -3.783  -1.150   0.236  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.150  -1.216  -0.060  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -5.782  -0.130  -0.662  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.050   1.017  -0.968  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.107  -2.296   0.863  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1       -3.716  -3.321   1.146  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.764  -2.146   1.101  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1       -1.278  -2.921   1.542  0.00  0.00    +0.192 HD
ATOM     12  C   LIG    1       -3.685   1.083  -0.671  0.00  0.00    +0.010 A 
ATOM     13  N   LIG    1       -1.019  -1.043   0.828  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        2.971   0.478   0.159  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        1.635   0.507  -0.268  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        0.656   1.214   0.450  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1        1.028   1.887   1.618  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.354   1.866   2.047  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.321   1.167   1.320  0.00  0.00    +0.023 A 
BRANCH  14  22
ATOM     20  C   LIG    1        5.874  -1.310  -1.455  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        5.239  -0.416  -0.419  0.00  0.00    +0.214 C 
ATOM     22  N   LIG    1        3.880  -0.267  -0.621  0.00  0.00    -0.286 N 
ATOM     23  H   LIG    1        3.483  -0.744  -1.420  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        5.921   0.108   0.455  0.00  0.00    -0.276 OA
ENDBRANCH  14  22
ENDBRANCH   1  16
TORSDOF 3