REMARK  Name = BDB034963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.801   2.225  -0.145  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.235   0.844   0.032  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.855   0.644   0.021  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -0.414  -0.685   0.193  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.955  -0.906   0.187  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.861   0.143   0.018  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.325   1.411  -0.149  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -1.239  -1.735   0.362  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -2.560  -1.516   0.368  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.001   1.680  -0.148  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.096  -0.247   0.207  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        3.296  -0.101   0.005  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        4.212   0.764   0.578  0.00  0.00    +0.075 A 
ATOM     14  S   LIG    1        5.790   0.130   0.372  0.00  0.00    +0.004 S 
ATOM     15  N   LIG    1        5.320  -1.238  -0.436  0.00  0.00    -0.218 NA
ATOM     16  C   LIG    1        3.995  -1.224  -0.547  0.00  0.00    +0.129 A 
ENDBRANCH   6  12
BRANCH   9  17
ATOM     17  N   LIG    1       -3.400  -2.618   0.544  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -4.018  -2.712  -0.255  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -3.971  -2.487   1.373  0.00  0.00    +0.144 HD
ENDBRANCH   9  17
TORSDOF 2