REMARK  Name = BDB018429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.344   2.134   0.501  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -2.058   0.854   0.617  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -3.404   0.872   0.626  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -4.134   2.045   0.540  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -5.586   1.963   0.568  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.525   3.289   0.434  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -4.117   4.362   0.361  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.041   3.282   0.411  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.864   2.474   0.420  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        2.204   2.950   1.496  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        0.856   2.825   1.483  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        0.127   2.254   0.441  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.848   1.776  -0.655  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.237   1.885  -0.666  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.240   2.552   0.357  0.00  0.00    -0.477 OA
BRANCH  15  17
ATOM     16  C   LIG    1        5.117   2.120   2.581  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        4.864   3.151   1.494  0.00  0.00    +0.227 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.346  -0.382   0.706  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -1.317  -1.369  -0.251  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -0.435  -2.333   0.190  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -0.046  -2.078   1.472  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.538  -0.868   1.743  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -0.000  -3.522  -0.465  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1       -0.046  -3.710  -1.857  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1        0.317  -4.956  -2.405  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        0.743  -6.000  -1.585  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        0.833  -5.805  -0.212  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        0.471  -4.576   0.345  0.00  0.00    +0.028 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -0.289  -2.620  -2.823  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1        0.188  -1.503  -2.794  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -1.149  -3.004  -3.783  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -1.227  -2.223  -4.371  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 7