REMARK  Name = BDB057118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.119  -0.565  -2.066  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.042  -0.810  -0.888  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        1.546  -1.640  -1.893  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.202  -1.558  -2.274  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.664  -0.641  -1.661  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -0.160   0.183  -0.648  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.181   0.096  -0.267  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        3.327  -0.787  -0.420  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1        4.266  -1.656  -1.052  0.00  0.00    +0.264 C 
BRANCH   9  13
ATOM     10  C   LIG    1        8.149  -1.238   0.821  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        7.002  -1.406   1.598  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.747  -1.534   0.999  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        5.617  -1.488  -0.396  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1        6.773  -1.325  -1.171  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        8.030  -1.199  -0.568  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1       10.514  -0.988   0.787  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        9.311  -1.126   1.533  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1       -2.945  -1.363  -1.163  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -2.502  -2.259  -0.974  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.459  -0.791   0.008  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -3.929   0.527   0.078  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.484   1.028   1.258  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -4.564   0.231   2.394  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.150  -1.095   2.330  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.621  -1.603   1.141  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  O   LIG    1       -4.901   2.323   1.369  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.068   2.676   0.612  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -6.920   3.538   1.562  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -5.617   3.578  -0.549  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.987   1.558   0.052  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -7.190   1.301  -1.126  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.594   0.821   1.008  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -8.049   0.116   0.503  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 11