REMARK  Name = BDB029251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.102   0.202   0.417  0.00  0.00    +0.037 C 
ATOM      2  C   LIG    1       -2.002  -1.285   0.171  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -0.700  -1.709   0.350  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.456  -3.053   0.119  0.00  0.00    +0.141 A 
ATOM      5  N   LIG    1       -1.433  -3.880  -0.288  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -2.658  -3.344  -0.455  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.191  -0.694   0.771  0.00  0.00    -0.295 N 
ATOM      8  N   LIG    1       -3.006  -2.064  -0.249  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1       -0.711   0.446   1.089  0.00  0.00    +0.124 C 
ATOM     10  C   LIG    1       -2.171   0.948  -0.923  0.00  0.00    +0.020 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.418  -0.324   0.177  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        2.345   0.419   0.937  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        3.564   0.789   0.355  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        3.824   0.414  -0.951  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        5.059   0.889  -1.282  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        5.478   1.514  -0.145  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        2.955  -0.312  -1.751  0.00  0.00    +0.050 A 
ATOM     18  N   LIG    1        4.627   1.499   0.854  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        1.738  -0.672  -1.151  0.00  0.00    +0.027 A 
BRANCH  16  20
ATOM     20  N   LIG    1        6.684   2.083  -0.196  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.038   2.305  -1.117  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        6.857   2.800   0.497  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   7  11
BRANCH   4  23
ATOM     23  N   LIG    1        0.805  -3.618   0.377  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        1.017  -3.460   1.359  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        1.510  -3.102  -0.140  0.00  0.00    +0.144 HD
ENDBRANCH   4  23
BRANCH   1  26
ATOM     26  C   LIG    1       -3.212   0.593   1.417  0.00  0.00    +0.083 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.152   2.315   0.381  0.00  0.00    +0.084 C 
ATOM     28  S   LIG    1       -4.946   0.573   0.825  0.00  0.00    -0.163 S 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 5