REMARK  Name = BDB031274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.111   0.893  -0.057  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.754  -0.286  -0.460  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        3.123  -0.289  -0.341  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1        3.805   0.823   0.145  0.00  0.00    +0.158 A 
ATOM      5  N   LIG    1        5.155   0.517   0.144  0.00  0.00    -0.291 N 
ATOM      6  H   LIG    1        5.889   1.139   0.437  0.00  0.00    +0.172 HD
ATOM      7  C   LIG    1        5.330  -0.778  -0.348  0.00  0.00    +0.326 A 
ATOM      8  O   LIG    1        6.383  -1.371  -0.492  0.00  0.00    -0.247 OA
ATOM      9  N   LIG    1        3.242   1.968   0.529  0.00  0.00    -0.235 NA
ATOM     10  N   LIG    1        4.052  -1.276  -0.647  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1        3.888  -2.193  -1.029  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        1.884   1.976   0.405  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1       -0.791   2.188  -0.359  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -0.361   1.064  -0.131  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -1.101  -0.081   0.102  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -0.605  -0.904   0.415  0.00  0.00    +0.155 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.505  -0.215   0.047  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -3.044  -1.457   0.410  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -4.424  -1.673   0.377  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.280  -0.651  -0.021  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.754   0.586  -0.388  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.372   0.803  -0.355  0.00  0.00    +0.023 A 
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 2