REMARK  Name = BDB047315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.365  -0.608  -0.461  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -1.193   0.784  -0.356  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -2.144   1.575   0.322  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -3.202   0.935   1.000  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -3.352  -0.452   0.962  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.447  -1.208   0.210  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.471  -1.166   1.650  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -4.690  -2.347   1.381  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.328  -0.435   2.663  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -6.574   0.132   2.012  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.480  -1.486  -1.322  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1        1.160  -3.397  -1.432  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        0.273  -2.556  -0.527  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1       -0.138   1.360  -1.024  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1        0.903   1.829  -0.128  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.046   0.835  -0.048  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.430   0.306   1.191  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        3.496  -0.593   1.283  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.206  -0.985   0.140  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        3.820  -0.457  -1.099  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.754   0.442  -1.193  0.00  0.00    +0.008 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.362  -1.961   0.267  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        6.675  -1.354  -0.234  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        5.062  -3.279  -0.450  0.00  0.00    +0.012 C 
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  25
ATOM     25  C   LIG    1        1.394   3.183  -0.673  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1        2.156   3.939  -0.088  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        0.882   3.482  -1.899  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        0.282   2.759  -2.191  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  15  25
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  29
ATOM     29  C   LIG    1       -2.143   3.090   0.306  0.00  0.00    +0.038 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.235   3.694  -0.586  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -3.009   3.433  -2.068  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 12