REMARK  Name = BDB017820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.277   1.702   1.751  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.992   1.859   0.961  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.186   3.188   0.575  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.271   3.552  -0.201  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.180   2.558  -0.584  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.001   1.211  -0.201  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.067   4.051   1.066  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.885   0.867   0.578  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.537   3.166   2.167  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.932   0.164  -0.603  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        3.668  -1.191  -0.408  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.724  -1.795  -0.881  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        5.200  -3.184  -1.022  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.706  -2.964  -1.319  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        6.826  -1.535  -1.883  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        5.631  -0.908  -1.365  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        5.173   0.345  -1.202  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.535   0.779   1.456  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1       -1.327   1.160   0.916  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1       -1.050   0.785   0.019  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -2.826   0.940   2.636  0.00  0.00    -0.270 OA
BRANCH  18  27
ATOM     22  C   LIG    1       -5.374  -1.405   0.259  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.347  -1.181  -1.130  0.00  0.00    -0.009 A 
ATOM     24  C   LIG    1       -6.332  -1.866  -2.038  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -4.401  -0.297  -1.671  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.481   0.351  -0.846  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.494   0.113   0.531  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -4.449  -0.755   1.081  0.00  0.00    +0.059 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -6.429  -2.490   2.104  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.339  -2.274   0.701  0.00  0.00    -0.495 OA
ENDBRANCH  22  30
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 4