REMARK  Name = BDB007307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.452  -0.033  -2.337  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -3.341   0.201  -1.540  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -2.666   1.429  -1.552  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1       -1.545   1.468  -0.689  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1       -1.627   2.268  -0.057  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1       -1.635   0.225   0.006  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -3.075   2.468  -2.369  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.189   2.266  -3.180  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.600  -0.605  -0.565  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1       -2.783  -1.788  -0.338  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.866   1.034  -3.162  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.427  -0.309   0.636  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        0.626  -0.720  -0.396  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        1.829  -1.387   0.283  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1        2.073  -0.893   1.641  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1        1.691   0.499   1.821  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        0.171   0.644   1.687  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.393  -1.255   2.176  0.00  0.00    +0.126 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.573  -0.554   1.554  0.00  0.00    +0.004 A 
ATOM     20  S   LIG    1        5.583  -1.379   0.437  0.00  0.00    -0.100 S 
ATOM     21  C   LIG    1        6.602  -0.021   0.249  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        6.206   1.036   1.036  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.043   0.724   1.798  0.00  0.00    +0.012 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  27
ATOM     24  N   LIG    1       -4.912  -2.369  -1.683  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.089  -2.424  -1.085  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.477  -3.202  -1.769  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.266  -1.278  -2.410  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -6.261  -1.331  -3.127  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4