REMARK  Name = BDB061391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.674   1.539  -2.997  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        2.437   1.532  -2.150  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1        2.130   2.678  -1.515  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1        0.998   2.570  -0.807  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1        0.180   1.457  -0.697  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -0.873   1.822   0.200  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.676   3.139   0.569  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1        0.567   0.317  -1.425  0.00  0.00    +0.132 A 
ATOM      9  N   LIG    1        0.460   3.581  -0.060  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1        0.871   4.500   0.017  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        1.720   0.386  -2.136  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.943   1.016   0.745  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -1.662   0.067   1.730  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -2.694  -0.727   2.209  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -3.954  -0.606   1.762  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -4.206   0.323   0.814  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -3.243   1.154   0.275  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -2.445  -1.673   3.208  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -2.124  -1.201   4.047  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -1.704  -2.303   2.910  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  N   LIG    1       -0.203  -0.847  -1.478  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.987  -0.810  -0.838  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.547  -2.089  -1.353  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        0.862  -2.492   0.065  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        0.092  -3.348   0.833  0.00  0.00    +0.050 A 
ATOM     26  S   LIG    1        0.721  -3.570   2.409  0.00  0.00    -0.105 S 
ATOM     27  C   LIG    1        2.035  -2.526   2.091  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        1.992  -2.018   0.811  0.00  0.00    +0.013 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5