REMARK  Name = BDB048311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.495  -0.741  -1.723  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.938  -0.838  -3.141  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.916  -0.972  -1.822  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.208   1.936   0.115  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.234   0.604   0.558  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.481  -0.407  -0.073  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1       -3.667  -0.037  -1.156  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.667   1.283  -1.630  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -4.428   2.264  -0.995  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.598  -1.770   0.451  0.00  0.00    +0.231 A 
ATOM     11  O   LIG    1       -4.081  -2.797  -0.297  0.00  0.00    -0.443 OA
ATOM     12  C   LIG    1       -4.362  -3.918   0.422  0.00  0.00    +0.217 A 
ATOM     13  C   LIG    1       -5.031  -3.537   1.555  0.00  0.00    +0.152 A 
ATOM     14  N   LIG    1       -5.183  -2.174   1.569  0.00  0.00    -0.217 NA
ENDBRANCH   6  10
BRANCH   4  16
ATOM     15  C   LIG    1       -7.462   3.031   0.256  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.044   2.985   0.804  0.00  0.00    +0.032 C 
ENDBRANCH   4  16
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.915  -1.812  -0.786  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.601  -1.760  -0.628  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.979  -0.449  -0.211  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.316  -0.195  -0.076  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.350  -1.119  -0.234  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.697  -0.738  -0.069  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        5.771  -1.773  -0.269  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.003   0.602   0.247  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        3.954   1.519   0.412  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        2.626   1.122   0.252  0.00  0.00    +0.046 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.422   1.087   0.446  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.842   1.013   1.912  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.260   1.475   2.089  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        9.021   1.884   1.230  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.657   1.397   3.375  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        9.582   1.721   3.362  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12