REMARK  Name = BDB061547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.616   0.714  -0.138  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -0.253   2.024   0.128  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1        1.110   2.267   0.175  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        2.039   1.314  -0.068  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        1.596   0.083  -0.332  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1        0.302  -0.252  -0.383  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.772  -0.946  -1.439  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -4.647  -0.746  -0.359  0.00  0.00    +0.204 A 
ATOM      9  C   LIG    1       -4.225  -0.038   0.772  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -2.905   0.412   0.858  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -2.008   0.229  -0.207  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -2.462  -0.460  -1.349  0.00  0.00    +0.059 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.423  -1.845  -3.624  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.283  -1.626  -2.514  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1       -5.931  -1.229  -0.432  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.972  -2.565   0.070  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
BRANCH   9  17
ATOM     17  O   LIG    1       -5.002   0.209   1.875  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -6.245   0.833   1.554  0.00  0.00    +0.277 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1       -1.217   3.063   0.298  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -1.999   3.912   0.419  0.00  0.00    -0.191 NA
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  S   LIG    1        1.805   3.878   0.518  0.00  0.00    -0.042 S 
BRANCH  21  22
ATOM     22  C   LIG    1        1.598   3.879   2.261  0.00  0.00    +0.141 A 
ATOM     23  S   LIG    1        2.373   5.037   3.264  0.00  0.00    -0.069 S 
ATOM     24  C   LIG    1        1.628   4.331   4.636  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        0.842   3.271   4.240  0.00  0.00    +0.120 A 
ATOM     26  N   LIG    1        0.826   3.013   2.883  0.00  0.00    -0.241 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
BRANCH   5  27
ATOM     27  S   LIG    1        2.759  -1.210  -0.663  0.00  0.00    -0.081 S 
BRANCH  27  28
ATOM     28  C   LIG    1        4.319  -0.302  -0.446  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.513  -1.200  -0.666  0.00  0.00    -0.037 A 
ATOM     30  C   LIG    1        6.088  -1.897   0.407  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.187  -2.732   0.201  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.717  -2.886  -1.079  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.148  -2.207  -2.154  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.051  -1.369  -1.950  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 10