REMARK  Name = BDB037117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.054  -1.150  -1.106  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -1.844  -2.082  -0.772  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.099  -0.134  -1.200  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -1.362   1.013  -1.527  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.298  -0.526  -0.869  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.341   0.214  -1.446  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        2.701  -0.075  -1.203  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1        2.993  -1.170  -0.354  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        1.940  -1.915   0.218  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.605  -1.592  -0.025  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.780   0.747  -1.883  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        4.608   1.715  -1.067  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1        3.632   2.241  -2.070  0.00  0.00    +0.009 C 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1        4.420  -1.613  -0.086  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        4.729  -1.659   1.340  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        4.740  -2.842   1.993  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.084  -2.513   3.240  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.302  -1.132   3.390  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.072  -0.605   2.142  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -3.694  -0.922  -1.310  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -4.310  -2.169  -0.897  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.880  -0.428  -2.658  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -4.852   1.433  -0.429  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.114   0.294  -0.098  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -3.704   0.105   1.231  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.982   1.075   2.201  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.719   2.207   1.865  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.168   2.377   0.557  0.00  0.00    +0.048 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -4.643   2.604  -2.402  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.383   1.620  -1.675  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -2.972  -0.997   1.595  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.746  -1.871   2.422  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8