REMARK  Name = BDB046415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.667   0.885   0.850  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.461  -0.415   0.347  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        1.550  -1.204  -0.069  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        2.838  -0.638  -0.063  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        3.054   0.670   0.381  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        1.969   1.419   0.847  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.446   1.199   0.362  0.00  0.00    +0.339 C 
ATOM      8  O   LIG    1        5.407   0.551  -0.023  0.00  0.00    -0.245 OA
BRANCH   7   9
ATOM      9  O   LIG    1        4.483   2.475   0.819  0.00  0.00    -0.464 OA
ATOM     10  C   LIG    1        5.792   3.048   0.831  0.00  0.00    +0.280 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.447   1.721   1.440  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -1.993   2.091   3.395  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -0.901   1.210   2.808  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1       -0.809  -0.941   0.359  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -1.468  -0.829  -0.918  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.696   0.060  -0.775  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.619  -0.149   0.265  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.748   0.661   0.384  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.972   1.685  -0.533  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.069   1.899  -1.573  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.938   1.090  -1.697  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
BRANCH  15  22
ATOM     22  C   LIG    1       -1.908  -2.214  -1.420  0.00  0.00    +0.351 C 
ATOM     23  O   LIG    1       -2.017  -3.246  -0.775  0.00  0.00    -0.246 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -2.197  -2.227  -2.744  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -2.495  -3.147  -2.905  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  15  22
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  26
ATOM     26  C   LIG    1        1.415  -2.651  -0.485  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.524  -2.833  -2.001  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        1.309  -4.283  -2.403  0.00  0.00    +0.004 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 11