REMARK  Name = BDB018272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.284  -0.068  -2.205  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -0.032  -0.851  -2.258  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.375  -1.340  -3.445  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1       -0.357  -1.173  -4.606  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.136  -1.773  -5.835  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.597  -0.545  -4.610  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -2.324  -0.430  -5.593  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.035   0.032  -3.316  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -2.713   1.079   1.022  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -2.945   0.409  -0.346  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1       -1.641   0.547  -1.006  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -0.901   1.682  -0.431  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -1.830   2.259   0.638  0.00  0.00    +0.042 C 
BRANCH   9  16
ATOM     14  C   LIG    1       -1.867  -1.723   3.430  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -2.730  -0.774   2.643  0.00  0.00    +0.210 C 
ATOM     16  N   LIG    1       -2.026   0.197   1.967  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -1.054  -0.021   1.764  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -3.952  -0.876   2.601  0.00  0.00    -0.276 OA
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1        0.683  -1.155  -1.057  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        1.951  -0.747  -0.715  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        2.125  -1.142   0.586  0.00  0.00    -0.267 N 
ATOM     22  N   LIG    1        1.086  -1.859   1.075  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        0.213  -1.868   0.064  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.248  -0.802   1.449  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.053   0.564   2.063  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        2.142   0.744   3.115  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        1.931   2.009   3.663  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.629   3.108   3.167  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.538   2.943   2.123  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.749   1.678   1.571  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 5