REMARK  Name = BDB003145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.687  -0.253  -2.277  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.307  -0.375  -2.361  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1        1.068  -0.350  -3.345  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        3.334   0.059  -3.273  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.746  -1.145   1.389  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        5.311  -0.289   0.434  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        4.629  -0.004  -0.752  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        3.368  -0.564  -0.991  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.808  -1.435  -0.049  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.491  -1.719   1.139  0.00  0.00    +0.016 A 
BRANCH   5  11
ATOM     11  C   LIG    1        5.515  -1.414   2.635  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        6.619  -0.945   2.861  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1        5.494  -2.538   4.681  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1        4.820  -2.240   3.458  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  C   LIG    1        0.319   0.323  -1.626  0.00  0.00    +0.143 C 
ATOM     16  S   LIG    1        0.663   1.472  -0.459  0.00  0.00    -0.018 S 
BRANCH  15  17
ATOM     17  N   LIG    1       -0.933  -0.119  -2.046  0.00  0.00    -0.276 N 
ATOM     18  H   LIG    1       -0.983  -0.912  -2.668  0.00  0.00    +0.156 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.153   0.346  -1.629  0.00  0.00    +0.164 A 
ATOM     20  S   LIG    1       -3.474  -0.515  -2.307  0.00  0.00    -0.057 S 
ATOM     21  C   LIG    1       -4.539   0.502  -1.454  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -6.024   0.388  -1.485  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -6.663   1.663  -0.904  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -5.955   2.137   0.379  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -4.472   2.467   0.132  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1       -3.825   1.421  -0.711  0.00  0.00    +0.054 A 
ATOM     27  N   LIG    1       -2.455   1.330  -0.822  0.00  0.00    -0.229 NA
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6