REMARK  Name = BDB046718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.509   0.743  -0.762  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -3.041   1.022   0.525  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.760   0.621   0.912  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.926  -0.065   0.026  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.385  -0.339  -1.261  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.668   0.062  -1.651  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.899   1.159  -1.186  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.880  -0.015  -1.263  0.00  0.00    +0.210 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -7.089   0.422  -2.042  0.00  0.00    +0.321 C 
ATOM     10  O   LIG    1       -7.122   0.444  -3.268  0.00  0.00    -0.250 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -9.258   1.303  -1.940  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1       -8.096   0.856  -1.239  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -6.253  -0.625   0.065  0.00  0.00    +0.321 C 
ATOM     14  O   LIG    1       -6.616  -1.790   0.183  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.197   0.268   1.090  0.00  0.00    -0.467 OA
ATOM     16  C   LIG    1       -6.565  -0.274   2.359  0.00  0.00    +0.280 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        0.296  -0.391   0.542  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.198  -1.174  -0.246  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.063  -0.295  -1.153  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.982   0.497  -0.395  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.212  -0.019  -0.095  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.082   0.884   0.524  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        6.373   0.509   0.920  0.00  0.00    +0.034 A 
ATOM     24  N   LIG    1        7.231   1.476   1.470  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        6.721   2.177   2.001  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1        8.414   0.967   2.150  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1        9.128  -0.046   1.268  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1        8.207  -1.232   1.002  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1        6.817  -0.789   0.622  0.00  0.00    -0.026 A 
ATOM     30  C   LIG    1        5.942  -1.702   0.017  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        4.645  -1.321  -0.336  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11