REMARK  Name = BDB002336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.070   0.186   0.434  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.057  -0.538   0.734  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.643  -0.495   2.077  0.00  0.00    +0.185 C 
ATOM      4  C   LIG    1        1.519  -1.748   2.127  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        1.970  -1.913   0.680  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.737  -1.507  -0.113  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.631   0.881   1.290  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.497   0.754   2.359  0.00  0.00    +0.328 C 
ATOM      9  O   LIG    1        2.061   0.954   3.430  0.00  0.00    -0.249 OA
BRANCH   8  10
ATOM     10  O   LIG    1        1.578   1.569   1.272  0.00  0.00    -0.459 OA
BRANCH  10  11
ATOM     11  C   LIG    1        2.483   2.670   1.384  0.00  0.00    +0.267 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.838   2.260   0.867  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        3.990   1.819  -0.456  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        5.242   1.434  -0.936  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.354   1.484  -0.098  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.215   1.914   1.220  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.963   2.299   1.702  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.670   0.083  -0.982  0.00  0.00    +0.170 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.268  -1.803  -0.829  0.00  0.00    +0.230 C 
ATOM     20  N   LIG    1       -3.027  -0.444  -0.781  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -3.622   0.102  -0.167  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1       -2.424  -2.618  -1.198  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -4.673  -2.217  -0.334  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -4.549  -2.598   1.141  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1       -6.452  -3.841  -0.803  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -5.170  -3.294  -1.208  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -4.462  -4.031  -1.252  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  18  20
BRANCH  18  28
ATOM     28  C   LIG    1       -1.749   1.476  -1.600  0.00  0.00    +0.152 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.384   1.987  -1.973  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        0.621   1.302  -2.097  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -0.445   3.331  -2.193  0.00  0.00    -0.468 OA
ATOM     32  C   LIG    1        0.797   3.918  -2.584  0.00  0.00    +0.280 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 11