REMARK  Name = BDB028197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580  -1.634   0.409  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.294  -0.643  -0.083  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.677  -0.709   0.145  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.193  -1.763   0.891  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.636  -1.810   1.172  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.381  -0.770   0.676  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.379  -0.783   0.864  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.916   0.260  -0.079  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.132  -2.727   1.817  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.349  -2.761   1.387  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.645   0.304  -0.363  0.00  0.00    +0.086 A 
ATOM     12  C   LIG    1        0.024  -2.697   1.142  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        3.289   3.021   1.111  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        3.467   1.610   0.715  0.00  0.00    +0.194 A 
ATOM     15  O   LIG    1        2.341   0.834   0.723  0.00  0.00    -0.439 OA
ATOM     16  C   LIG    1        2.778  -0.401   0.323  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        4.144  -0.300   0.104  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1        4.830  -1.441  -0.305  0.00  0.00    +0.142 A 
ATOM     19  N   LIG    1        4.156  -2.609  -0.476  0.00  0.00    -0.260 NA
ATOM     20  C   LIG    1        2.815  -2.638  -0.244  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1        2.022  -1.562   0.167  0.00  0.00    +0.045 A 
ATOM     22  N   LIG    1        4.569   0.984   0.351  0.00  0.00    -0.212 NA
ENDBRANCH   1  21
BRANCH  11  23
ATOM     23  C   LIG    1       -2.137   1.467  -1.240  0.00  0.00    +0.099 C 
ATOM     24  C   LIG    1       -3.242   2.096  -2.088  0.00  0.00    +0.030 C 
BRANCH  23  25
ATOM     25  N   LIG    1       -1.542   2.481  -0.356  0.00  0.00    -0.323 NA
ATOM     26  H   LIG    1       -1.296   3.303  -0.907  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -2.266   2.802   0.293  0.00  0.00    +0.119 HD
ENDBRANCH  23  25
ENDBRANCH  11  23
TORSDOF 3