REMARK  Name = BDB051980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.753  -0.112   0.549  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -2.551  -1.233  -0.247  0.00  0.00    +0.088 A 
ATOM      3  N   LIG    1       -1.234  -1.667  -0.331  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -0.453  -0.904   0.406  0.00  0.00    +0.117 A 
ATOM      5  S   LIG    1       -1.250   0.365   1.244  0.00  0.00    -0.068 S 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -7.494   3.028   1.608  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -6.278   2.193   1.334  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -5.799   2.047   0.028  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -4.647   1.296  -0.224  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -3.949   0.687   0.826  0.00  0.00    -0.009 A 
ATOM     11  C   LIG    1       -4.423   0.847   2.135  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -5.574   1.599   2.387  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   2  13
ATOM     13  C   LIG    1       -3.581  -1.940  -0.993  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.313  -2.400  -2.279  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1       -4.205  -3.062  -3.060  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1       -5.420  -3.295  -2.521  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -5.783  -2.900  -1.244  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.847  -2.216  -0.469  0.00  0.00    +0.013 A 
ENDBRANCH   2  13
BRANCH   4  19
ATOM     19  C   LIG    1        1.027  -1.100   0.559  0.00  0.00    +0.291 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.670  -0.030  -0.136  0.00  0.00    -0.485 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.036  -0.005  -0.111  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.869  -0.940   0.503  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        5.267  -0.792   0.455  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1        6.148  -1.815   1.123  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        5.833   0.305  -0.220  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        4.995   1.238  -0.833  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        3.607   1.080  -0.776  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  O   LIG    1        7.200   0.362  -0.211  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.824   1.422  -0.919  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1        9.343   1.320  -0.827  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1        9.969   0.463  -0.223  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.975   2.314  -1.506  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        9.380   2.944  -1.955  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 9