REMARK  Name = BDB002855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.063  -2.639  -1.369  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.038  -1.968  -1.444  0.00  0.00    +0.258 C 
ATOM      3  C   LIG    1       -0.056  -0.564  -1.009  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1        1.016   0.070  -0.496  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -1.336   0.174  -1.133  0.00  0.00    +0.261 C 
ATOM      6  O   LIG    1       -1.420   1.357  -0.806  0.00  0.00    -0.269 OA
ATOM      7  N   LIG    1       -2.401  -0.555  -1.643  0.00  0.00    -0.217 N 
ATOM      8  C   LIG    1       -2.322  -1.863  -2.077  0.00  0.00    +0.316 C 
ATOM      9  O   LIG    1       -3.261  -2.486  -2.571  0.00  0.00    -0.252 OA
ATOM     10  N   LIG    1       -1.115  -2.486  -1.952  0.00  0.00    -0.235 N 
ATOM     11  H   LIG    1       -1.078  -3.446  -2.265  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   4  12
ATOM     12  N   LIG    1        2.283  -0.429  -0.298  0.00  0.00    -0.320 N 
ATOM     13  H   LIG    1        2.407  -1.406  -0.579  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.423   0.195   0.234  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.609  -0.551   0.329  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.782   0.007   0.849  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        5.792   1.332   1.287  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        4.621   2.090   1.200  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        3.450   1.523   0.678  0.00  0.00    +0.024 A 
BRANCH  17  20
ATOM     20  C   LIG    1        7.054   1.887   1.831  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        8.109   1.289   1.936  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        6.937   3.169   2.220  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        7.832   3.396   2.551  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  12  14
ENDBRANCH   4  12
BRANCH   7  24
ATOM     24  C   LIG    1       -3.696   0.111  -1.735  0.00  0.00    +0.153 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.516  -0.077  -0.475  0.00  0.00    -0.029 A 
ATOM     26  C   LIG    1       -4.401   0.829   0.593  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.141   0.642   1.761  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -5.992  -0.451   1.867  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -6.701  -0.630   2.989  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.118  -1.362   0.826  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -5.379  -1.178  -0.344  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 6