REMARK  Name = BDB018423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.490   0.531  -0.234  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        1.346   1.276   0.322  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.613   2.270   1.194  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        2.899   2.614   1.575  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        3.075   3.712   2.513  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        4.017   1.959   1.079  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        5.180   2.226   1.368  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.745   0.854   0.129  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        2.013  -3.967  -3.855  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        2.118  -2.795  -2.924  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        2.641  -1.578  -3.373  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.763  -0.494  -2.499  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.373  -0.617  -1.159  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        1.867  -1.841  -0.706  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.743  -2.922  -1.581  0.00  0.00    +0.004 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1       -0.009   0.971  -0.041  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -1.076   0.849   0.823  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1       -2.185   0.520   0.069  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1       -1.884   0.547  -1.260  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1       -0.570   0.769  -1.311  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.524   0.270   0.490  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1       -3.882  -0.055   1.808  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1       -5.237  -0.170   2.167  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -6.238  -0.007   1.211  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.893   0.261  -0.109  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.549   0.395  -0.469  0.00  0.00    +0.028 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -2.932  -0.401   2.876  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -2.865   0.112   3.974  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -2.169  -1.445   2.512  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -1.623  -1.648   3.301  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 5