REMARK  Name = BDB003899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.155  -1.032   0.028  0.00  0.00    -0.256 N 
ATOM      2  C   LIG    1       -1.720  -1.343  -1.209  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1       -1.174  -1.287  -2.307  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.159  -1.822  -1.117  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -4.069  -0.852  -0.310  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -5.309  -1.658   0.126  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -5.443  -2.854  -0.138  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -6.324  -1.052   0.823  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -7.060  -1.749   0.895  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -6.901   0.137   0.455  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -8.078   0.189   0.112  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.024   1.355   0.533  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -5.133   1.540  -0.679  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.514   0.276  -1.275  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -3.312  -0.336   0.938  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -2.023  -1.115   1.201  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        2.862   0.032   0.768  0.00  0.00    +0.077 A 
ATOM     18  C   LIG    1        1.890  -0.066   1.746  0.00  0.00    +0.128 A 
ATOM     19  N   LIG    1        0.597  -0.408   1.502  0.00  0.00    -0.239 NA
ATOM     20  C   LIG    1        0.213  -0.674   0.229  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1        1.143  -0.597  -0.806  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        2.472  -0.242  -0.538  0.00  0.00    +0.020 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.233   0.415   1.165  0.00  0.00    +0.341 C 
ATOM     24  O   LIG    1        4.546   0.657   2.318  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.037   0.447   0.078  0.00  0.00    -0.455 OA
BRANCH  25  27
ATOM     26  C   LIG    1        7.191  -0.217   1.072  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.441   0.797   0.202  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1        6.991   0.719  -1.230  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.612   2.230   0.716  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 4