REMARK  Name = BDB015892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.239   0.251  -0.113  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.705  -0.435  -0.786  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.954   0.065  -0.837  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.290   1.253  -0.184  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.250   1.876   0.481  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.013   1.409   0.529  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.940  -0.211   0.707  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.636   0.310   0.660  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.605  -0.309  -0.078  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.934  -1.484  -0.780  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.225  -2.015  -0.747  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.222  -1.381  -0.007  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.981   0.707   3.448  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.760   0.851   2.694  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.197   2.065   2.574  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.107   1.830   1.837  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.969   0.468   1.478  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.065  -0.137   2.058  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.627   1.815  -0.163  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.925   3.159  -0.277  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.285   3.256  -0.214  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.077   4.460  -0.292  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.899   2.069  -0.068  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.891   1.195  -0.028  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.938  -0.663  -1.540  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.424  -0.015  -2.161  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.477  -1.842  -2.283  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.213  -3.065  -1.392  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -1.820  -4.175  -2.220  0.00  0.00    -0.388 OA
ATOM     30  H   LIG    1       -1.982  -4.972  -1.675  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
BRANCH  28  31
ATOM     31  C   LIG    1       -3.451  -3.481  -0.591  0.00  0.00    +0.188 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -3.136  -4.658   0.165  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1       -2.560  -4.375   0.897  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9