REMARK  Name = BDB048312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.362   1.765  -1.263  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.909   3.183  -0.908  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.736   1.825  -1.705  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.544   1.285   1.333  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -4.827   0.176   0.856  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.866   0.296  -0.169  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.633   1.582  -0.692  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -4.368   2.685  -0.251  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.314   2.540   0.762  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -3.175  -0.908  -0.657  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.185  -1.272  -2.004  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1       -2.555  -2.360  -2.517  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -1.892  -3.143  -1.642  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -1.818  -2.885  -0.285  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.467  -1.754   0.208  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
BRANCH   4  17
ATOM     16  C   LIG    1       -7.953   0.799   1.838  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -6.581   1.116   2.414  0.00  0.00    +0.032 C 
ENDBRANCH   4  17
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.547   1.189  -2.436  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.626   0.329  -1.974  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.521   1.119  -1.196  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.566   0.470  -0.600  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        2.926  -0.864  -0.797  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.031  -1.426  -0.126  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        4.361  -2.875  -0.365  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        4.776  -0.630   0.767  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.409   0.713   0.951  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.317   1.254   0.273  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.984  -1.155   1.512  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.273  -0.883   0.739  0.00  0.00    +0.125 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.474  -1.426   1.470  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        8.445  -2.024   2.533  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.631  -1.179   0.811  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        9.511  -0.691  -0.025  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12