REMARK  Name = BDB027749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396   0.685  -0.116  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.044   1.991  -0.395  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.426   2.183  -0.323  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.877   3.468  -0.584  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.103   4.537  -0.907  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.220   4.314  -0.986  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.287   1.200  -0.025  0.00  0.00    -0.225 NA
ATOM      8  C   LIG    1        1.764  -0.012   0.195  0.00  0.00    +0.170 A 
ATOM      9  C   LIG    1       -0.792   3.079  -0.744  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.461  -0.313   0.161  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.665  -1.114   0.507  0.00  0.00    +0.076 A 
ATOM     12  S   LIG    1        4.372  -0.914   0.609  0.00  0.00    -0.072 S 
ATOM     13  C   LIG    1        4.539  -2.578   0.980  0.00  0.00    +0.156 A 
ATOM     14  N   LIG    1        3.428  -3.277   1.037  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1        2.360  -2.440   0.765  0.00  0.00    +0.130 A 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.792   0.401  -0.151  0.00  0.00    -0.323 N 
ATOM     17  H   LIG    1       -2.265   1.072   0.449  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -2.052  -1.899  -1.163  0.00  0.00    +0.031 C 
ATOM     19  C   LIG    1       -2.252  -1.000   0.035  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -3.517  -1.220   0.839  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -2.193  -1.627   1.410  0.00  0.00    +0.027 C 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 3