REMARK  Name = BDB004988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.824   0.009   0.567  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1       -0.489  -0.176  -0.374  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -5.420  -0.247  -0.945  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -4.408   0.430  -0.232  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.130  -0.161  -0.197  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.128   0.540   0.507  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1       -2.377   1.691   1.150  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.618   2.164   1.068  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.901  -1.404  -0.839  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.912  -2.056  -1.532  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -4.635   1.602   0.404  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -5.168  -1.475  -1.588  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -7.135   1.453  -0.476  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -6.443   1.965   0.063  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -8.081   1.800  -0.544  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -6.820   0.269  -1.074  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -7.676  -0.345  -1.702  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.141   0.804   1.316  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.496   0.142   1.215  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        2.510   0.695   0.414  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.775   0.090   0.291  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        3.991  -1.103   0.989  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.991  -1.670   1.785  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.750  -1.052   1.897  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1        4.731   0.706  -0.539  0.00  0.00    -0.294 N 
ATOM     26  H   LIG    1        4.442   1.599  -0.914  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.984   0.306  -0.859  0.00  0.00    +0.162 A 
ATOM     28  S   LIG    1        6.939   1.343  -1.872  0.00  0.00    -0.061 S 
ATOM     29  C   LIG    1        8.234   0.228  -1.805  0.00  0.00    +0.068 A 
ATOM     30  C   LIG    1        7.872  -0.850  -1.032  0.00  0.00    +0.120 A 
ATOM     31  N   LIG    1        6.599  -0.800  -0.501  0.00  0.00    -0.233 NA
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6