REMARK  Name = BDB002615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.715  -0.017  -0.133  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1       -0.049   1.152  -0.533  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1       -0.672   2.356  -0.487  0.00  0.00    -0.197 NA
ATOM      4  C   LIG    1       -1.913   2.423  -0.023  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1       -2.622   1.377   0.371  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.029   0.169   0.313  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.900  -0.968   0.771  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   2   8
ATOM      8  N   LIG    1        1.269   1.254  -1.024  0.00  0.00    -0.147 N 
ATOM      9  C   LIG    1        2.276   0.904  -0.248  0.00  0.00    +0.201 C 
ATOM     10  N   LIG    1        2.100   0.097  -1.202  0.00  0.00    -0.147 NA
BRANCH   9  11
ATOM     11  S   LIG    1        3.156   1.252   1.100  0.00  0.00    -0.072 S 
BRANCH  11  12
ATOM     12  C   LIG    1        4.284  -0.169   1.087  0.00  0.00    +0.195 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.634  -1.428   1.476  0.00  0.00    +0.074 C 
ATOM     14  N   LIG    1        3.117  -2.421   1.785  0.00  0.00    -0.196 NA
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   2   8
BRANCH   4  15
ATOM     15  N   LIG    1       -2.521   3.659   0.011  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1       -2.100   4.268  -0.676  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -3.524   3.543  -0.025  0.00  0.00    +0.145 HD
ENDBRANCH   4  15
BRANCH   1  19
ATOM     18  C   LIG    1       -0.303  -2.015  -1.610  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -0.148  -1.413  -0.220  0.00  0.00    +0.037 C 
ENDBRANCH   1  19
TORSDOF 6