REMARK  Name = BDB001674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.353   1.411  -0.821  0.00  0.00    -0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.562   0.725  -0.342  0.00  0.00    -0.066 A 
ATOM      3  C   LIG    1       -1.702   0.271   0.972  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -2.877  -0.384   1.359  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -3.951  -0.588   0.471  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1       -5.219  -1.286   0.865  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1       -3.796  -0.130  -0.843  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -2.619   0.518  -1.239  0.00  0.00    +0.002 A 
BRANCH   4   9
ATOM      9  N   LIG    1       -2.955  -0.862   2.729  0.00  0.00    +0.057 N 
ATOM     10  O   LIG    1       -2.852  -0.023   3.636  0.00  0.00    -0.126 OA
ATOM     11  O   LIG    1       -3.147  -2.076   2.901  0.00  0.00    -0.126 OA
ENDBRANCH   4   9
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  N   LIG    1        0.743   1.462  -0.049  0.00  0.00    +0.424 NA
BRANCH  12  13
ATOM     13  N   LIG    1        1.800   2.199  -0.770  0.00  0.00    -0.419 N 
ATOM     14  H   LIG    1        1.740   3.210  -0.748  0.00  0.00    +0.120 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.998   1.607  -1.101  0.00  0.00    +0.110 C 
ATOM     16  S   LIG    1        4.276   2.519  -1.658  0.00  0.00    -0.021 S 
BRANCH  15  17
ATOM     17  N   LIG    1        2.960   0.257  -0.931  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        2.058   0.025  -0.516  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.001  -0.722  -1.061  0.00  0.00    +0.130 C 
BRANCH  19  21
ATOM     20  C   LIG    1        5.888  -0.825   0.597  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        4.591  -0.970   0.293  0.00  0.00    -0.016 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 8