REMARK  Name = BDB041499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.592  -1.238  -0.970  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.378  -0.792  -1.857  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.460  -1.720  -0.164  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.335  -2.615   0.656  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.778  -1.023  -0.369  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.881  -1.739  -0.033  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        4.115  -1.198  -0.200  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        4.265   0.099  -0.715  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.111   0.824  -1.055  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.853   0.263  -0.882  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.296  -2.056   0.208  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        6.151  -2.721  -0.848  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1        5.248  -3.555   0.007  0.00  0.00    +0.010 C 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1        5.617   0.746  -0.888  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.854   1.761   0.131  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        5.530   3.050  -0.112  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.894   3.682   1.006  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        6.459   2.812   1.956  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.427   1.574   1.358  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -2.146  -1.852  -1.015  0.00  0.00    +0.096 S 
ATOM     21  O   LIG    1       -2.517  -1.662  -2.407  0.00  0.00    -0.148 OA
ATOM     22  O   LIG    1       -2.224  -3.166  -0.415  0.00  0.00    -0.148 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.782  -0.434   1.297  0.00  0.00    +0.165 A 
ATOM     24  C   LIG    1       -3.101  -0.714  -0.019  0.00  0.00    +0.239 A 
ATOM     25  N   LIG    1       -4.164  -0.170  -0.681  0.00  0.00    -0.228 NA
ATOM     26  C   LIG    1       -4.959   0.698  -0.012  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -4.689   1.041   1.315  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -3.590   0.479   1.966  0.00  0.00    +0.051 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.156   1.296  -0.762  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -6.250   0.751  -2.205  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -6.013   2.828  -0.844  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -7.467   0.935  -0.037  0.00  0.00    +0.017 C 
ENDBRANCH  26  29
BRANCH  23  34
ATOM     33  C   LIG    1       -2.018  -2.002   2.795  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.678  -0.920   1.924  0.00  0.00    -0.492 OA
ENDBRANCH  23  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8