REMARK  Name = BDB057662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.683  -0.375  -0.120  0.00  0.00    -0.484 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.960   0.030   0.152  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.556   0.092   1.411  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.880   0.527   1.542  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -4.623   0.906   0.418  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -4.021   0.844  -0.843  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -2.700   0.408  -0.971  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -6.055   1.361   0.562  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -7.096   0.323   0.118  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -7.104  -0.822   1.133  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -7.674  -0.853   2.212  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -6.385  -1.889   0.722  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -6.466  -2.528   1.460  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -8.357   1.002   0.073  0.00  0.00    -0.362 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -9.266   0.523  -0.921  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1      -10.395   1.545  -1.011  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -9.829  -0.850  -0.571  0.00  0.00    +0.037 C 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.131  -0.763   0.992  0.00  0.00    +0.308 C 
BRANCH  18  22
ATOM     19  C   LIG    1        3.517  -1.036   0.007  0.00  0.00    +0.259 A 
ATOM     20  O   LIG    1        3.161  -2.353  -0.100  0.00  0.00    -0.333 OA
ATOM     21  N   LIG    1        1.817  -2.439   0.268  0.00  0.00    -0.057 NA
ATOM     22  C   LIG    1        1.495  -1.167   0.546  0.00  0.00    +0.209 A 
ATOM     23  N   LIG    1        2.528  -0.269   0.414  0.00  0.00    -0.188 NA
BRANCH  19  27
ATOM     24  C   LIG    1        7.552   0.054  -0.955  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        6.620   1.017  -0.553  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.307   0.650  -0.241  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.893  -0.687  -0.327  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        5.828  -1.648  -0.735  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        7.142  -1.282  -1.047  0.00  0.00    +0.004 A 
BRANCH  24  30
ATOM     30  C   LIG    1        8.970   0.449  -1.291  0.00  0.00    +0.038 C 
BRANCH  30  32
ATOM     31  C   LIG    1       10.181  -0.970   0.464  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        9.981   0.428  -0.124  0.00  0.00    -0.013 C 
ATOM     33  C   LIG    1        9.636   1.428   0.980  0.00  0.00    +0.007 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 12