REMARK  Name = BDB023866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.349   1.093  -0.818  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1       -1.235  -0.180  -0.201  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.302  -1.327  -0.393  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -0.710  -2.510   0.397  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.146  -2.691   0.692  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -2.773  -1.455   1.364  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1        0.226  -3.535   0.472  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1        1.361  -3.430   0.006  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -0.188  -4.806   1.169  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.366  -0.257   0.592  0.00  0.00    +0.048 A 
ATOM     11  N   LIG    1       -3.036   0.922   0.467  0.00  0.00    -0.263 N 
ATOM     12  N   LIG    1       -2.475   1.729  -0.453  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        3.171   0.924  -1.858  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1        1.872   1.004  -1.319  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        0.828   1.572  -2.075  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        1.098   2.188  -3.303  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -0.085   2.843  -3.719  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -1.036   2.620  -2.754  0.00  0.00    +0.094 A 
ATOM     19  C   LIG    1        2.395   2.109  -3.845  0.00  0.00    +0.010 A 
ATOM     20  N   LIG    1       -0.534   1.726  -1.817  0.00  0.00    -0.299 N 
ATOM     21  C   LIG    1        3.408   1.463  -3.127  0.00  0.00    +0.009 A 
BRANCH  13  25
ATOM     22  C   LIG    1        6.329  -0.945   0.391  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        5.147  -1.634   0.129  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.123  -1.022  -0.605  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.255   0.289  -1.091  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        5.450   0.969  -0.820  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.474   0.359  -0.087  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.300  -2.750   1.590  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        7.402  -1.422   1.092  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  13  25
ENDBRANCH   1  20
BRANCH  11  30
ATOM     30  C   LIG    1       -4.266   1.333   1.132  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -4.182   2.751   1.702  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -5.467   3.097   2.448  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -6.593   2.335   2.005  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -6.597   2.144   0.594  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -5.481   1.183   0.206  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4