REMARK  Name = BDB059425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.260   0.387   0.593  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.431   1.269  -0.118  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.034   1.200  -0.008  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        0.823   2.173  -0.765  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.532   0.206   0.804  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -0.272  -0.658   1.562  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        0.311  -1.693   2.482  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.667  -0.573   1.424  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1       -7.659  -2.256   0.039  0.00  0.00    +0.127 A 
ATOM     10  C   LIG    1       -6.273  -2.096   0.093  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1       -5.708  -0.825   0.231  0.00  0.00    +0.146 A 
ATOM     12  C   LIG    1       -6.519   0.307   0.299  0.00  0.00    +0.106 A 
ATOM     13  C   LIG    1       -5.858   1.622   0.437  0.00  0.00    +0.197 A 
ATOM     14  C   LIG    1       -4.390   1.612   0.559  0.00  0.00    +0.098 A 
ATOM     15  C   LIG    1       -3.729   0.450   0.476  0.00  0.00    +0.139 A 
ATOM     16  O   LIG    1       -6.450   2.693   0.433  0.00  0.00    -0.287 OA
ATOM     17  C   LIG    1       -7.909   0.148   0.233  0.00  0.00    +0.138 A 
ATOM     18  O   LIG    1       -4.337  -0.779   0.299  0.00  0.00    -0.454 OA
ATOM     19  C   LIG    1       -8.477  -1.129   0.123  0.00  0.00    +0.092 A 
BRANCH   9  21
ATOM     20  C   LIG    1       -9.485  -3.763  -0.185  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -8.081  -3.550  -0.084  0.00  0.00    -0.495 OA
ENDBRANCH   9  21
BRANCH  17  22
ATOM     22  O   LIG    1       -8.774   1.202   0.369  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1       -9.117   1.738  -0.910  0.00  0.00    +0.277 C 
ENDBRANCH  17  22
ENDBRANCH   1  15
BRANCH   5  24
ATOM     24  O   LIG    1        1.898   0.139   0.914  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.434  -0.815  -0.022  0.00  0.00    +0.261 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.968  -0.733   0.025  0.00  0.00    +0.166 C 
BRANCH  26  27
ATOM     27  O   LIG    1        4.399  -1.066   1.350  0.00  0.00    -0.387 OA
ATOM     28  H   LIG    1        3.921  -0.456   1.945  0.00  0.00    +0.210 HD
ENDBRANCH  26  27
BRANCH  26  29
ATOM     29  C   LIG    1        4.464   0.677  -0.393  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.910   0.896  -0.532  0.00  0.00    -0.297 NA
ATOM     31  C   LIG    1        6.605   1.151   0.742  0.00  0.00    +0.100 C 
ATOM     32  C   LIG    1        8.138   0.904   0.711  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1        8.721   1.167  -0.610  0.00  0.00    -0.303 NA
ATOM     34  C   LIG    1       10.171   1.023  -0.609  0.00  0.00    +0.105 C 
ATOM     35  C   LIG    1        8.088   0.313  -1.635  0.00  0.00    +0.099 C 
ATOM     36  C   LIG    1        6.618  -0.096  -1.340  0.00  0.00    +0.100 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 9