REMARK  Name = BDB015096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.993   0.339   1.291  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.931  -0.025   0.440  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.667  -0.331   0.953  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.458  -0.280   2.332  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.494   0.077   3.192  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.752   0.384   2.674  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -6.732   0.322   0.692  0.00  0.00    +0.088 A 
ATOM      8  C   LIG    1       -5.474   0.012   1.223  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -4.323   0.659   0.745  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -4.478   1.623  -0.267  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -5.739   1.940  -0.783  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.873   1.292  -0.301  0.00  0.00    +0.027 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -8.224  -2.006   0.376  0.00  0.00    +0.200 C 
ATOM     14  S   LIG    1       -8.169  -0.508   1.325  0.00  0.00    -0.006 S 
ATOM     15  O   LIG    1       -9.329   0.289   0.973  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1       -7.897  -0.855   2.707  0.00  0.00    -0.170 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  O   LIG    1        0.431  -0.697   0.225  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.303  -0.688  -1.197  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.646  -1.067  -1.828  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.505  -1.110  -3.254  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        2.414  -0.975  -3.594  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.760  -0.061  -1.460  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.999  -0.300  -2.243  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.951   0.819  -2.073  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.695   0.833  -0.755  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.859  -0.346  -0.004  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.583  -0.312   1.196  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.161   0.878   1.636  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.017   2.042   0.886  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.205  -1.629  -0.451  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.291   2.020  -0.305  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.689  -1.558  -1.896  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8