REMARK  Name = BDB009030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189   0.232   1.200  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.142  -0.769   0.958  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.152  -1.058   1.891  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.175  -0.350   3.098  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.231   0.645   3.346  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.246   0.938   2.400  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.813   1.378   0.203  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        0.774   0.454   0.194  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        0.693  -0.136  -0.626  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.063   2.172   1.104  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.648   1.306  -1.087  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1        3.825   2.107  -1.099  0.00  0.00    -0.483 OA
BRANCH  12  18
ATOM     13  C   LIG    1        8.506  -0.892   0.025  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        7.266  -0.101  -0.292  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        7.031   0.411  -1.586  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        8.004   0.183  -2.710  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        5.862   1.150  -1.829  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.938   1.368  -0.809  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        5.183   0.897   0.476  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        6.339   0.160   0.730  0.00  0.00    +0.007 A 
ENDBRANCH  12  18
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.167  -2.149   1.630  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.832  -2.051   0.259  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -5.009  -1.147   0.070  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -5.529  -0.307   1.204  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -6.524   0.769   0.760  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -7.512   0.221  -0.262  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.782  -0.311  -1.497  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.568  -1.129  -1.152  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.995  -1.954  -2.245  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -5.467  -1.950  -3.377  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -3.906  -2.714  -1.913  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -3.508  -3.294  -2.644  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.322  -2.783  -0.688  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6