REMARK  Name = BDB050327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.600   1.487   0.918  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.791   0.497   0.343  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.207  -0.139   1.095  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.396   0.217   2.433  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.407   1.201   3.012  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.400   1.831   2.261  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.028  -1.187   0.446  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        2.199  -1.810   1.125  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        2.837  -2.474  -0.077  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        1.764  -2.627  -1.024  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        0.769  -1.659  -0.733  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        4.007  -1.688  -0.642  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        5.265  -1.787  -0.021  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.357  -1.064  -0.504  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        6.200  -0.237  -1.609  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        4.968  -0.120  -2.240  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.875  -0.844  -1.756  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  O   LIG    1        7.293   0.451  -2.047  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        7.037   0.968  -2.829  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.696   2.145   0.111  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.054   1.461   0.320  0.00  0.00    +0.230 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.952   2.344   1.191  0.00  0.00    +0.334 C 
ATOM     23  O   LIG    1       -4.686   2.718   2.323  0.00  0.00    -0.248 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -6.107   2.680   0.559  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1       -6.078   2.274  -0.341  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  O   LIG    1       -4.738   1.303  -0.947  0.00  0.00    -0.365 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -5.225  -1.063  -1.167  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -4.377   0.104  -1.639  0.00  0.00    +0.157 C 
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9