REMARK  Name = BDB034911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.136   2.377  -0.168  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.396   2.194  -0.009  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -2.270   1.113  -0.088  0.00  0.00    -0.277 N 
ATOM      4  C   LIG    1       -3.692   1.494   0.034  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.817   2.975  -0.285  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -2.296   3.679   0.385  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.925  -0.230   0.127  0.00  0.00    +0.100 A 
ATOM      8  C   LIG    1       -2.573  -1.290  -0.755  0.00  0.00    +0.270 A 
ATOM      9  O   LIG    1       -3.402  -1.018  -1.620  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -2.196  -2.595  -0.528  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1       -2.622  -3.281  -1.138  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1       -1.297  -2.983   0.427  0.00  0.00    +0.086 A 
ATOM     13  C   LIG    1       -0.735  -2.071   1.225  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1       -1.073  -0.676   1.073  0.00  0.00    +0.030 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        0.377   0.732  -1.689  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        0.614   1.345  -0.655  0.00  0.00    +0.271 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.774   1.055   0.187  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.683  -0.046   0.052  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.615   0.059   1.078  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        4.644  -0.766   1.343  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.731  -1.794   0.468  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.874  -2.025  -0.600  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        3.317   1.174   1.808  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.856   1.479   2.606  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.820  -1.139  -0.823  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        2.204   1.782   1.292  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3