REMARK  Name = BDB015607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.246  -0.965   0.026  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        1.492   0.294   0.397  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.414   1.053   0.650  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1       -0.855   0.620   0.542  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -1.050  -0.658   0.158  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.005  -1.507  -0.128  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.467  -1.073   0.016  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.872  -2.271   0.476  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.188  -2.695   0.376  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.535  -4.006   0.901  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.190  -1.908  -0.194  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -6.364  -2.255  -0.300  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.758  -0.561  -0.690  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.815   0.309  -1.289  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.471  -0.200  -0.572  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1        0.636   2.452   1.069  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1       -0.441   3.328   1.308  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -0.233   4.654   1.704  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.061   5.136   1.869  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.146   4.296   1.641  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.934   2.971   1.246  0.00  0.00    +0.011 A 
ENDBRANCH   3  16
BRANCH   1  22
ATOM     22  N   LIG    1        2.405  -1.711  -0.282  0.00  0.00    -0.204 N 
ATOM     23  H   LIG    1        2.347  -2.718  -0.147  0.00  0.00    +0.175 HD
BRANCH  22  24
ATOM     24  S   LIG    1        3.084  -1.383  -1.781  0.00  0.00    +0.044 S 
ATOM     25  O   LIG    1        3.937  -2.519  -2.064  0.00  0.00    -0.155 OA
ATOM     26  O   LIG    1        2.026  -1.033  -2.704  0.00  0.00    -0.155 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.120   0.051  -1.489  0.00  0.00    +0.188 C 
BRANCH  27  29
ATOM     28  C   LIG    1        6.120  -1.026  -0.323  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        4.993  -0.009  -0.241  0.00  0.00    +0.021 C 
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6