REMARK  Name = BDB047303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.136  -1.152   0.787  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -1.029  -0.298   1.056  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.054   1.045   0.584  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -2.174   1.480  -0.152  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.246   0.632  -0.450  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -3.223  -0.674   0.030  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.386   1.183  -1.248  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -4.427   2.388  -1.497  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.487   0.263  -1.736  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -6.621   0.189  -0.733  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -2.263  -2.561   1.344  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.134  -3.985   3.232  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -3.032  -2.577   2.667  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1        0.158  -0.834   1.857  0.00  0.00    +0.055 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.109  -1.732   1.024  0.00  0.00    +0.132 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.082  -0.928   0.172  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        1.852  -0.785  -1.203  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        2.750  -0.075  -2.004  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.894   0.515  -1.450  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        4.114   0.383  -0.073  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.218  -0.326   0.731  0.00  0.00    +0.005 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.856   1.280  -2.343  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        6.234   0.613  -2.379  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        4.974   2.748  -1.925  0.00  0.00    +0.012 C 
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  25
ATOM     25  C   LIG    1        1.817  -2.750   1.922  0.00  0.00    +0.313 C 
ATOM     26  O   LIG    1        1.543  -2.959   3.095  0.00  0.00    -0.250 OA
BRANCH  25  27
ATOM     27  O   LIG    1        2.770  -3.478   1.286  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1        2.928  -3.201   0.361  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        0.047   2.033   0.947  0.00  0.00    +0.035 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.145   3.368   0.194  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        0.581   3.211  -1.256  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 12