REMARK  Name = BDB015031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.343  -1.144   0.700  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -2.115  -0.957   0.035  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.137  -1.955   0.032  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.385  -3.157   0.697  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.592  -3.363   1.362  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.563  -2.362   1.363  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.332   1.922   0.687  0.00  0.00    +0.088 A 
ATOM      8  C   LIG    1       -6.658   0.638   0.248  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -5.678  -0.358   0.251  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.371  -0.090   0.698  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -4.075   1.208   1.150  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -5.048   2.211   1.152  0.00  0.00    +0.027 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.468   3.876  -0.935  0.00  0.00    +0.200 C 
ATOM     14  S   LIG    1       -7.578   3.188   0.696  0.00  0.00    -0.006 S 
ATOM     15  O   LIG    1       -8.866   2.532   0.824  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1       -7.164   4.206   1.642  0.00  0.00    -0.170 OA
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  O   LIG    1        0.085  -1.885  -0.577  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.421  -0.660  -1.236  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.838  -0.740  -1.825  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.850  -1.611  -2.966  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        2.776  -1.921  -3.031  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.883  -1.239  -0.801  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.216  -1.414  -1.431  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.915  -0.133  -1.661  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.494   0.514  -0.421  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.790  -0.251   0.722  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.358   0.366   1.845  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.652   1.728   1.826  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.378   2.485   0.690  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.440  -1.718   0.766  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.806   1.882  -0.430  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.088  -2.285  -0.618  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8