REMARK  Name = BDB002910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.320  -0.503  -0.415  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1        0.204  -0.900  -0.936  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1        0.188  -2.239  -1.592  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.988  -2.762  -2.125  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.987  -4.026  -2.734  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.192  -4.767  -2.810  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.370  -4.250  -2.280  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.247  -2.004  -2.061  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1       -3.288  -2.452  -2.536  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.244  -0.654  -1.413  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        1.371  -2.993  -1.673  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.089  -0.161  -0.946  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        1.471   0.912   0.354  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        0.611   0.921   1.522  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1        1.358   1.974  -0.629  0.00  0.00    -0.146 OA
BRANCH  13  21
ATOM     16  C   LIG    1        7.267   0.990   2.238  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        5.832   0.975   1.799  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1        4.933   0.051   2.351  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.590  -0.008   1.934  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1        2.678  -1.002   2.598  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.163   0.893   0.939  0.00  0.00    +0.115 A 
ATOM     22  C   LIG    1        4.061   1.811   0.376  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        5.390   1.844   0.800  0.00  0.00    +0.005 A 
ENDBRANCH  13  21
ENDBRANCH   1  13
BRANCH  10  24
ATOM     24  N   LIG    1       -3.473  -0.010  -1.440  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -4.169  -0.572  -1.943  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.057   0.847  -0.486  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -5.194   1.575  -0.871  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -5.797   2.481   0.013  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1       -5.293   2.653   1.302  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -4.163   1.941   1.693  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.547   1.054   0.802  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -6.989   3.258  -0.390  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -7.952   3.427   0.335  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -6.872   3.791  -1.625  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -5.980   3.717  -2.014  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 6