REMARK  Name = BDB058676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.769  -1.488  -0.457  0.00  0.00    +0.070 C 
ATOM      2  C   LIG    1        1.732  -2.386  -0.727  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -2.732  -1.229   0.240  0.00  0.00    +0.138 A 
ATOM      4  O   LIG    1       -1.519  -0.742  -0.140  0.00  0.00    -0.455 OA
ATOM      5  C   LIG    1       -0.588  -1.760  -0.122  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -1.258  -2.908   0.284  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.618  -2.572   0.507  0.00  0.00    +0.050 A 
BRANCH   3  14
ATOM      8  C   LIG    1       -5.021   2.612  -1.951  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.969   1.634  -0.807  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1       -5.953   1.635   0.202  0.00  0.00    -0.045 A 
ATOM     11  C   LIG    1       -7.091   2.619   0.189  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.858   0.706   1.245  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.799  -0.214   1.268  0.00  0.00    +0.137 A 
ATOM     14  C   LIG    1       -3.818  -0.257   0.272  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -3.922   0.690  -0.760  0.00  0.00    +0.017 A 
BRANCH  13  16
ATOM     16  N   LIG    1       -4.735  -1.111   2.401  0.00  0.00    +0.057 N 
ATOM     17  O   LIG    1       -5.585  -2.010   2.451  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1       -3.852  -0.899   3.242  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   3  14
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        3.080  -1.845  -1.063  0.00  0.00    +0.259 C 
ATOM     20  N   LIG    1        3.630  -1.079  -0.049  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        3.102  -0.998   0.812  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        3.586  -2.115  -2.145  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.881  -0.424  -0.058  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        5.239   0.282   1.101  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        6.459   0.963   1.177  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        7.330   0.947   0.084  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        6.992   0.231  -1.065  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        5.768  -0.445  -1.137  0.00  0.00    +0.024 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.633   1.647   0.128  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        9.664   1.167  -0.307  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.545   2.883   0.664  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        7.634   3.202   0.801  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   2  19
BRANCH   2  33
ATOM     33  C   LIG    1        1.572  -3.793  -0.806  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        1.423  -4.944  -0.827  0.00  0.00    -0.191 NA
ENDBRANCH   2  33
TORSDOF 8