REMARK  Name = BDB014357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.190   0.700   1.761  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1       -1.364  -0.772   1.722  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -2.558  -1.466   1.661  0.00  0.00    +0.169 A 
ATOM      4  O   LIG    1       -2.303  -2.797   1.699  0.00  0.00    -0.356 OA
ATOM      5  N   LIG    1       -0.948  -3.013   1.768  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1       -0.366  -1.802   1.759  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.989  -1.041   1.591  0.00  0.00    +0.187 C 
ATOM      8  O   LIG    1       -4.143  -0.120   0.501  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -4.119  -0.715  -0.809  0.00  0.00    +0.125 C 
ATOM     10  C   LIG    1       -5.251  -1.746  -0.925  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -5.116  -2.810   0.157  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -5.027  -2.162   1.533  0.00  0.00    +0.040 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.173   0.429  -1.873  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -4.093  -0.143  -3.300  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -5.454   1.275  -1.745  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -2.963   1.367  -1.665  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   6  17
ATOM     17  C   LIG    1        1.103  -1.689   1.797  0.00  0.00    +0.270 C 
ATOM     18  N   LIG    1        1.590  -0.610   1.088  0.00  0.00    -0.274 N 
ATOM     19  H   LIG    1        0.952  -0.183   0.420  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        1.804  -2.518   2.367  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.885  -0.196   0.926  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.197   0.739  -0.197  0.00  0.00    +0.289 A 
ATOM     23  O   LIG    1        2.355   1.079  -1.015  0.00  0.00    -0.264 OA
ATOM     24  N   LIG    1        4.555   1.061  -0.121  0.00  0.00    -0.245 N 
ATOM     25  N   LIG    1        5.121   0.242   0.905  0.00  0.00    -0.287 N 
ATOM     26  C   LIG    1        6.244   0.824   1.637  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1        4.054  -0.410   1.552  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        4.275  -1.171   2.822  0.00  0.00    +0.067 C 
BRANCH  24  29
ATOM     29  C   LIG    1        5.389   1.237  -1.332  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        4.724   1.989  -2.521  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1        6.095   2.639  -2.783  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        6.388   2.426  -1.285  0.00  0.00    +0.027 C 
ENDBRANCH  24  29
ENDBRANCH  18  21
ENDBRANCH   6  17
TORSDOF 5