REMARK  Name = BDB048314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.179   0.504  -0.187  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.569   1.903  -0.169  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.514   0.606  -0.712  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.842   0.470   1.830  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.923   0.069   0.490  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.801   0.106  -0.361  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.569   0.554   0.164  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -3.494   0.979   1.494  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.620   0.934   2.320  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.948  -0.329  -1.760  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1       -5.737   0.397  -2.659  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -5.857  -0.058  -3.964  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -5.258  -1.173  -4.430  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -4.497  -1.859  -3.551  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -4.316  -1.485  -2.229  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   4  17
ATOM     16  C   LIG    1       -7.859   1.729   2.627  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.062   0.436   2.714  0.00  0.00    +0.032 C 
ENDBRANCH   4  17
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.434  -0.467  -1.121  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.958  -0.861  -0.636  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.852   0.233  -0.815  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.140   0.068  -0.389  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.691  -1.101   0.139  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.040  -1.152   0.542  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        5.576  -2.436   1.117  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.842   0.001   0.424  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        5.279   1.169  -0.116  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.943   1.198  -0.517  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.301   0.024   0.825  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.214  -0.304  -0.354  0.00  0.00    +0.125 C 
BRANCH  29  30
ATOM     30  C   LIG    1        9.656  -0.296   0.066  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       10.104  -0.087   1.179  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       10.481  -0.563  -0.966  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       11.378  -0.529  -0.572  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