REMARK  Name = BDB061244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.792  -2.940  -0.244  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -1.953  -2.149  -0.380  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -3.010  -2.548  -1.207  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -4.193  -1.659  -1.301  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1       -4.125  -0.387  -0.562  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -3.051  -0.115   0.187  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -5.203  -1.910  -1.945  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -2.909  -3.757  -1.907  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -1.770  -4.556  -1.780  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1       -1.986  -0.979   0.343  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -0.725  -4.144  -0.954  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.917   1.144   0.948  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.312   2.378   0.406  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.155   3.564   1.131  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.594   3.520   2.402  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -2.187   2.314   2.956  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.345   1.131   2.230  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.420   4.650   3.143  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -2.766   5.407   2.641  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  O   LIG    1       -3.918  -4.178  -2.726  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -3.697  -5.024  -3.144  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH  11  22
ATOM     22  O   LIG    1        0.389  -4.928  -0.830  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.295  -5.719  -1.386  0.00  0.00    +0.292 HD
ENDBRANCH  11  22
BRANCH   1  24
ATOM     24  C   LIG    1        0.346  -2.483   0.649  0.00  0.00    +0.127 C 
BRANCH  24  30
ATOM     25  O   LIG    1        4.351   1.494  -2.315  0.00  0.00    -0.275 OA
ATOM     26  C   LIG    1        3.708   1.629  -1.280  0.00  0.00    +0.219 C 
ATOM     27  N   LIG    1        3.071   0.588  -0.627  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        2.357   0.737   0.643  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1        1.789  -0.591   1.180  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        1.014  -1.278   0.144  0.00  0.00    -0.295 NA
ATOM     31  C   LIG    1        1.807  -1.525  -1.078  0.00  0.00    +0.103 C 
ATOM     32  C   LIG    1        3.147  -0.762  -1.173  0.00  0.00    +0.123 C 
BRANCH  26  33
ATOM     33  C   LIG    1        3.577   2.983  -0.669  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1        4.657   4.021  -0.884  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        4.485   3.398   0.467  0.00  0.00    +0.013 C 
ENDBRANCH  26  33
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 7