REMARK  Name = BDB018431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125  -3.188  -0.372  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.247  -3.183  -0.906  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.898  -4.354  -1.014  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.322  -5.555  -0.636  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -2.109  -6.772  -0.772  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -0.029  -5.635  -0.130  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        0.535  -6.670   0.210  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.701  -4.346  -0.006  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.165   0.481   0.008  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        1.354   0.093   1.016  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        0.783  -1.132   0.888  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        0.926  -1.956  -0.227  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.756  -1.507  -1.255  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.391  -0.272  -1.134  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  O   LIG    1        2.791   1.709   0.064  0.00  0.00    -0.476 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.706   2.333   1.349  0.00  0.00    +0.233 C 
BRANCH  16  18
ATOM     17  C   LIG    1        3.350   4.401   2.629  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        3.530   3.628   1.324  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        5.013   3.340   1.076  0.00  0.00    +0.010 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  C   LIG    1       -1.844  -1.949  -1.304  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.307  -0.971  -0.455  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.526   0.154  -1.220  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -2.460  -0.163  -2.549  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -2.004  -1.415  -2.586  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -2.707   1.517  -0.828  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1       -2.688   1.977   0.498  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1       -2.836   3.346   0.786  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -2.994   4.272  -0.242  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.011   3.836  -1.561  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.869   2.475  -1.852  0.00  0.00    +0.028 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -2.580   1.124   1.687  0.00  0.00    +0.339 C 
ATOM     32  O   LIG    1       -3.553   0.662   2.256  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -1.308   0.935   2.080  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -0.597   1.266   1.487  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  22  25
ENDBRANCH   2  20
TORSDOF 8