REMARK  Name = BDB032933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.989  -1.633   0.047  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.368  -0.377  -0.011  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.004  -0.216  -0.345  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1        0.754  -1.379  -0.586  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.156  -2.642  -0.514  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.194  -2.762  -0.181  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.547   1.146  -0.452  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        0.575   1.999   0.664  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.116   3.283   0.571  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.633   3.736  -0.641  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        1.606   2.908  -1.760  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.064   1.624  -1.667  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1        2.206  -1.354  -0.916  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1        2.978  -0.645  -0.028  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1        2.545  -0.203   0.771  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        2.577  -1.990  -1.894  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.328  -0.421  -0.098  0.00  0.00    +0.167 A 
ATOM     18  S   LIG    1        5.300  -0.986  -1.374  0.00  0.00    -0.029 S 
ATOM     19  C   LIG    1        6.659  -0.265  -0.645  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        6.296   0.365   0.531  0.00  0.00    +0.076 A 
ATOM     21  C   LIG    1        7.179   1.111   1.464  0.00  0.00    +0.068 C 
ATOM     22  N   LIG    1        4.943   0.267   0.837  0.00  0.00    -0.228 NA
BRANCH  19  23
ATOM     23  N   LIG    1        8.039  -0.286  -1.161  0.00  0.00    -0.022 NA
ATOM     24  O   LIG    1        8.194  -0.885  -2.230  0.00  0.00    -0.143 OA
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  25
ATOM     25  N   LIG    1       -3.316  -1.826   0.445  0.00  0.00    -0.344 N 
ATOM     26  H   LIG    1       -3.692  -2.697   0.074  0.00  0.00    +0.146 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -4.266  -0.720   0.367  0.00  0.00    +0.101 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.659  -1.219   0.757  0.00  0.00    +0.018 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -8.074  -0.584   1.096  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -6.689  -0.091   0.710  0.00  0.00    -0.002 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 8