REMARK  Name = BDB046489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.375   1.028   1.425  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.071   0.716   1.154  0.00  0.00    -0.022 C 
ATOM      3  C   LIG    1       -2.068   1.058   1.986  0.00  0.00    +0.063 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -3.499   0.728   1.770  0.00  0.00    +0.237 C 
ATOM      5  N   LIG    1       -3.903   0.693   0.463  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -3.251   0.944  -0.268  0.00  0.00    +0.149 HD
ATOM      7  O   LIG    1       -4.239   0.552   2.730  0.00  0.00    -0.271 OA
BRANCH   5   8
ATOM      8  C   LIG    1       -5.274   0.407   0.088  0.00  0.00    +0.138 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.555  -1.076  -0.250  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -4.704  -1.545  -1.432  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1       -5.351  -2.003   0.950  0.00  0.00    +0.042 C 
BRANCH   9  12
ATOM     12  O   LIG    1       -6.927  -1.187  -0.663  0.00  0.00    -0.388 OA
ATOM     13  H   LIG    1       -7.484  -1.018   0.118  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   3   4
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.956   1.934   0.338  0.00  0.00    +0.039 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.407   2.350   0.603  0.00  0.00    +0.138 C 
BRANCH  15  17
ATOM     16  C   LIG    1        4.189   0.850  -0.411  0.00  0.00    -0.002 C 
ATOM     17  C   LIG    1        3.368   1.190   0.597  0.00  0.00    +0.004 C 
BRANCH  16  19
ATOM     18  C   LIG    1        5.897  -0.631  -1.349  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        5.089  -0.279  -0.338  0.00  0.00    +0.003 C 
BRANCH  18  21
ATOM     20  C   LIG    1        7.656  -2.154  -2.401  0.00  0.00    +0.091 C 
ATOM     21  C   LIG    1        6.802  -1.806  -1.211  0.00  0.00    +0.153 C 
ATOM     22  O   LIG    1        6.868  -2.450  -0.166  0.00  0.00    -0.293 OA
ENDBRANCH  18  21
ENDBRANCH  16  19
ENDBRANCH  15  17
BRANCH  15  23
ATOM     23  O   LIG    1        2.777   3.297  -0.397  0.00  0.00    -0.388 OA
ATOM     24  H   LIG    1        3.671   3.604  -0.170  0.00  0.00    +0.210 HD
ENDBRANCH  15  23
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 11