REMARK  Name = BDB056738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.360  -2.055   0.315  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.495  -0.951   0.309  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.268  -1.109  -0.349  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.111  -2.305  -0.949  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.358  -2.200  -1.510  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.765  -0.968  -1.263  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.758  -3.406  -0.912  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.795  -0.266  -0.578  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.873   1.115  -0.166  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.993  -3.270  -0.268  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.562  -2.025   0.985  0.00  0.00    -0.438 OA
BRANCH  11  17
ATOM     12  C   LIG    1       -7.346   1.909  -0.396  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -6.330   0.890   0.011  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -6.426   0.216   1.231  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.482  -0.759   1.570  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.572  -1.499   2.869  0.00  0.00    +0.049 C 
ATOM     17  C   LIG    1       -4.467  -1.022   0.650  0.00  0.00    +0.223 A 
ATOM     18  N   LIG    1       -4.361  -0.401  -0.548  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1       -5.291   0.532  -0.839  0.00  0.00    +0.118 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        3.077  -0.393  -1.693  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.699   0.171  -0.538  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.904   0.791  -0.721  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.435   1.378   0.432  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.662   2.050   0.388  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.363   2.131  -0.820  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.838   1.543  -1.971  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.611   0.874  -1.922  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.255   2.686   1.588  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        8.319   3.274   1.629  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.485   2.559   2.682  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        6.997   3.012   3.385  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7