REMARK  Name = BDB058115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.701  -0.977  -0.420  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -3.768  -0.063   0.594  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -2.573   0.638   0.561  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -2.427   1.661   1.508  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1       -3.429   1.880   2.386  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -4.531   1.111   2.315  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1       -1.837   0.047  -0.510  0.00  0.00    +0.105 A 
ATOM      8  N   LIG    1       -4.791   0.122   1.447  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1       -2.549  -0.917  -1.122  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.493   0.362  -0.992  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        0.583   0.492  -0.106  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        1.868   0.770  -0.594  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        2.080   0.937  -1.968  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.013   0.798  -2.855  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -0.263   0.504  -2.369  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  C   LIG    1        2.982   0.913   0.380  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        4.187   0.364  -0.034  0.00  0.00    -0.261 N 
ATOM     18  H   LIG    1        4.189  -0.185  -0.881  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1        2.751   1.437   1.461  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.432   0.415   0.525  0.00  0.00    +0.156 C 
ATOM     21  S   LIG    1        5.780   1.296   1.968  0.00  0.00    -0.089 S 
ATOM     22  C   LIG    1        7.334   0.404   2.128  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1        7.646   0.030   0.687  0.00  0.00    +0.155 C 
ATOM     24  N   LIG    1        6.391  -0.223  -0.056  0.00  0.00    -0.262 NA
ENDBRANCH  17  20
ENDBRANCH  12  16
ENDBRANCH   7  10
BRANCH   1  26
ATOM     25  C   LIG    1       -4.219  -3.381  -0.631  0.00  0.00    +0.032 C 
ATOM     26  C   LIG    1       -4.729  -1.947  -0.780  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -5.267  -1.692  -2.188  0.00  0.00    +0.032 C 
ENDBRANCH   1  26
BRANCH   4  28
ATOM     28  N   LIG    1       -1.329   2.495   1.615  0.00  0.00    -0.342 N 
ATOM     29  H   LIG    1       -0.802   2.676   0.772  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -1.519   3.294   2.208  0.00  0.00    +0.144 HD
ENDBRANCH   4  28
TORSDOF 5