REMARK  Name = BDB018445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.469  -1.144  -2.114  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.940  -0.729  -2.026  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.786  -1.169  -2.978  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        1.380  -1.975  -4.027  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        2.368  -2.380  -5.015  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.062  -2.385  -4.179  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -0.361  -3.081  -5.096  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.880  -1.927  -3.128  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -3.401   0.563  -0.433  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.366  -0.056   0.832  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -2.447  -1.078   1.103  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.499  -1.419   0.138  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -1.498  -0.790  -1.113  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -2.462   0.190  -1.399  0.00  0.00    +0.058 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.462   2.131  -1.891  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.369   1.518  -0.612  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -4.262   0.344   1.796  0.00  0.00    -0.488 OA
ATOM     18  C   LIG    1       -3.722   1.452   2.521  0.00  0.00    +0.277 C 
ENDBRANCH  10  17
BRANCH  11  19
ATOM     19  O   LIG    1       -2.335  -1.765   2.284  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -3.578  -2.180   2.847  0.00  0.00    +0.277 C 
ENDBRANCH  11  19
ENDBRANCH   1  13
BRANCH   2  21
ATOM     21  C   LIG    1        1.405   0.117  -0.968  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        2.426  -0.162  -0.087  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1        2.521   0.910   0.785  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1        1.628   1.869   0.457  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1        0.949   1.385  -0.582  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.413   1.068   1.891  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1        3.393   2.212   2.720  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        4.304   2.300   3.792  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        5.219   1.281   4.050  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.238   0.155   3.239  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.344   0.046   2.170  0.00  0.00    +0.029 A 
BRANCH  27  32
ATOM     32  C   LIG    1        2.500   3.332   2.575  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        1.833   4.284   2.555  0.00  0.00    -0.191 NA
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH   2  21
TORSDOF 7