REMARK  Name = BDB056245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.140  -0.539  -2.649  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.389   0.068  -2.008  0.00  0.00    +0.098 C 
BRANCH   2   4
ATOM      3  N   LIG    1        5.552  -0.523  -0.970  0.00  0.00    -0.183 N 
ATOM      4  C   LIG    1        4.515  -0.930  -1.809  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        4.538  -2.044  -2.336  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  O   LIG    1        6.633  -1.458  -1.005  0.00  0.00    -0.292 OA
ATOM      7  H   LIG    1        6.267  -2.178  -1.569  0.00  0.00    +0.242 HD
ENDBRANCH   3   6
BRANCH   3   8
ATOM      8  C   LIG    1        6.074   0.842  -0.946  0.00  0.00    +0.151 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.986   1.085   0.252  0.00  0.00    +0.142 C 
BRANCH   9  11
ATOM     10  O   LIG    1        7.035   3.396  -0.465  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1        7.433   2.519   0.286  0.00  0.00    +0.306 C 
BRANCH  11  12
ATOM     12  O   LIG    1        8.333   2.759   1.267  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        8.568   1.970   1.793  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        1.385  -1.544  -1.771  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.899  -1.017  -0.416  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.003   0.220  -0.472  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.284   0.067  -1.298  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.221  -1.063  -0.861  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.701  -1.004   0.595  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.433   0.289   1.020  0.00  0.00    -0.011 C 
ATOM     21  C   LIG    1       -3.714   0.235   2.542  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.925   1.040   3.010  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -6.293   0.434   2.661  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -6.297  -0.717   1.657  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.835  -0.354   0.248  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.661   0.617   0.154  0.00  0.00    +0.003 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 14