REMARK  Name = BDB032956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.118   0.037  -0.099  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -0.977   1.143  -0.008  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.401   2.537   0.108  0.00  0.00    +0.055 C 
ATOM      4  C   LIG    1       -1.282   3.696  -0.369  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1       -2.326   4.111   0.565  0.00  0.00    -0.315 NA
ATOM      6  H   LIG    1       -1.925   4.662   1.325  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -3.108   3.012   1.132  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -3.432   1.885   0.152  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1       -2.341   0.853   0.006  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -2.806  -0.407  -0.127  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1       -1.901  -1.384  -0.254  0.00  0.00    +0.198 A 
ATOM     12  N   LIG    1       -0.573  -1.216  -0.238  0.00  0.00    -0.210 NA
ENDROOT
BRANCH  11  13
ATOM     13  C   LIG    1       -2.376  -2.751  -0.408  0.00  0.00    +0.172 A 
ATOM     14  O   LIG    1       -3.732  -2.950  -0.420  0.00  0.00    -0.460 OA
ATOM     15  C   LIG    1       -3.944  -4.282  -0.572  0.00  0.00    +0.196 A 
ATOM     16  C   LIG    1       -2.749  -4.955  -0.658  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -1.737  -3.970  -0.552  0.00  0.00    +0.053 A 
ENDBRANCH  11  13
BRANCH   1  18
ATOM     18  N   LIG    1        1.274   0.247  -0.060  0.00  0.00    -0.320 N 
ATOM     19  H   LIG    1        1.486   0.747   0.801  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1        2.236  -1.383  -1.650  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1        2.140  -0.946  -0.181  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.539  -0.739   0.372  0.00  0.00    +0.124 A 
ATOM     23  S   LIG    1        4.491   0.633  -0.048  0.00  0.00    -0.034 S 
ATOM     24  C   LIG    1        5.714   0.017   0.988  0.00  0.00    +0.179 A 
ATOM     25  N   LIG    1        5.393  -1.115   1.570  0.00  0.00    -0.126 NA
ATOM     26  N   LIG    1        4.134  -1.557   1.218  0.00  0.00    -0.143 NA
BRANCH  24  27
ATOM     27  N   LIG    1        6.887   0.657   1.154  0.00  0.00    -0.336 N 
ATOM     28  H   LIG    1        7.192   1.270   0.407  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.634   0.089   1.540  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 5