REMARK  Name = BDB008470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.546  -1.154  -0.251  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -1.193  -0.803  -0.256  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.315  -1.753   0.448  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.964  -1.078   0.775  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.475   0.054   0.185  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.766   0.720  -0.857  0.00  0.00    +0.088 A 
ATOM      7  N   LIG    1        1.160   1.785  -1.478  0.00  0.00    -0.174 NA
ATOM      8  N   LIG    1        2.303   2.498  -1.262  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        2.377   3.304  -1.878  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        3.402   2.423  -0.429  0.00  0.00    +0.272 A 
ATOM     11  C   LIG    1        3.619   1.379   0.587  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        4.778   1.392   1.387  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        4.997   0.410   2.356  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.072  -0.617   2.564  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.926  -0.618   1.762  0.00  0.00    +0.048 A 
ATOM     16  O   LIG    1        4.266   3.298  -0.548  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        2.696   0.357   0.788  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1        1.851  -1.484   1.736  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1        1.744  -2.286   2.344  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -0.557   0.056  -1.280  0.00  0.00    +0.166 C 
ATOM     21  O   LIG    1       -2.893  -2.206   0.304  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  23
ATOM     22  C   LIG    1       -5.029  -0.840  -0.617  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.636  -0.242  -0.919  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1       -3.622   1.183  -0.354  0.00  0.00    +0.037 C 
BRANCH  23  25
ATOM     25  N   LIG    1       -3.524  -0.260  -2.391  0.00  0.00    -0.318 NA
ATOM     26  H   LIG    1       -3.483  -1.226  -2.717  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -2.699   0.218  -2.730  0.00  0.00    +0.119 HD
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 2