REMARK  Name = BDB033719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.681   2.216  -0.252  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        1.208   3.072  -0.075  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1        2.589  -0.371  -1.940  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1        3.104   0.983  -1.630  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        2.151   2.035  -2.196  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        0.714   1.852  -1.678  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        0.271   0.411  -1.953  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        1.240  -0.607  -1.364  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1        3.702  -1.647  -1.732  0.00  0.00    +0.064 S 
ATOM     10  O   LIG    1        4.965  -1.251  -2.319  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        3.057  -2.891  -2.086  0.00  0.00    -0.153 OA
BRANCH   9  16
ATOM     12  C   LIG    1        5.671  -1.299   3.104  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        4.872  -1.640   1.952  0.00  0.00    -0.273 N 
ATOM     14  N   LIG    1        3.850  -2.507   2.088  0.00  0.00    -0.178 NA
ATOM     15  C   LIG    1        3.358  -2.616   0.849  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        4.047  -1.803  -0.061  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        5.023  -1.172   0.680  0.00  0.00    +0.136 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.571   2.550   0.248  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1       -1.569   1.660   0.229  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -2.740   2.035   0.785  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -2.942   3.261   1.373  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -1.854   4.098   1.350  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -0.666   3.764   0.801  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.171   3.655   1.970  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -5.158   4.014   2.463  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1       -3.780   1.130   0.813  0.00  0.00    -0.469 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.582  -0.091   0.094  0.00  0.00    +0.206 C 
ATOM     28  C   LIG    1       -2.796  -1.176   0.870  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -3.075  -1.190   2.373  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -3.263  -2.457   0.177  0.00  0.00    +0.038 C 
ATOM     31  C   LIG    1       -4.746  -2.245  -0.091  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -4.958  -0.733  -0.133  0.00  0.00    +0.047 C 
BRANCH  28  33
ATOM     33  O   LIG    1       -1.386  -1.062   0.688  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -1.172  -0.107   0.738  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 8