REMARK  Name = BDB061315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.264  -2.561   0.436  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1        2.469  -1.713   0.664  0.00  0.00    +0.188 C 
ATOM      3  N   LIG    1        2.413  -0.799  -0.450  0.00  0.00    -0.260 N 
ATOM      4  C   LIG    1        1.301  -1.065  -1.254  0.00  0.00    +0.251 C 
ATOM      5  O   LIG    1        0.935  -0.530  -2.287  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        0.574  -2.198  -0.648  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.392   0.214  -0.654  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.476   0.352   0.232  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        5.461   1.346   0.059  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        5.363   2.233  -1.032  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        6.341   3.225  -1.208  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        7.408   3.340  -0.316  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.508   2.466   0.762  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.286   2.102  -1.915  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        6.541   1.475   0.949  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        3.317   1.107  -1.727  0.00  0.00    +0.024 A 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1        1.310  -3.514   2.592  0.00  0.00    +0.276 C 
ATOM     18  O   LIG    1        0.923  -3.632   1.226  0.00  0.00    -0.497 OA
ENDBRANCH   1  18
BRANCH   6  19
ATOM     19  C   LIG    1       -0.651  -2.785  -1.251  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.940  -2.262  -0.680  0.00  0.00    -0.005 A 
ATOM     21  S   LIG    1       -2.710  -0.901  -1.372  0.00  0.00    -0.093 S 
ATOM     22  C   LIG    1       -3.998  -0.947  -0.239  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.826  -1.987   0.657  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -2.647  -2.745   0.402  0.00  0.00    +0.012 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.073   0.056  -0.284  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -5.551   0.622   0.908  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -6.582   1.572   0.891  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1       -7.147   1.963  -0.328  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -6.684   1.404  -1.518  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.657   0.457  -1.495  0.00  0.00    +0.009 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.039   2.132   2.185  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -6.615   1.827   3.284  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -8.011   3.051   2.043  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -8.206   3.330   2.963  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7