REMARK  Name = BDB001807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.513  -0.745  -0.114  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.414   0.025   0.190  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1       -0.508   0.985   0.481  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.541  -1.943  -0.360  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -6.405  -0.841   0.863  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -5.215  -0.061   0.376  0.00  0.00    -0.020 A 
ATOM      7  C   LIG    1       -5.291   1.271  -0.069  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -4.152   1.962  -0.518  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -2.913   1.318  -0.537  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.811  -0.009  -0.102  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -3.959  -0.693   0.334  0.00  0.00    +0.018 A 
BRANCH   7  12
ATOM     12  N   LIG    1       -6.560   1.995  -0.086  0.00  0.00    +0.057 N 
ATOM     13  O   LIG    1       -6.558   3.139   0.390  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -7.538   1.431  -0.592  0.00  0.00    -0.126 OA
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1        0.852  -0.491   0.228  0.00  0.00    +0.166 A 
ATOM     16  S   LIG    1        2.042   0.640   0.693  0.00  0.00    -0.047 S 
ATOM     17  C   LIG    1        3.241  -0.576   0.505  0.00  0.00    +0.098 A 
ATOM     18  C   LIG    1        2.640  -1.775   0.159  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1        3.313  -3.087  -0.025  0.00  0.00    +0.067 C 
ATOM     20  N   LIG    1        1.270  -1.699  -0.038  0.00  0.00    -0.229 NA
BRANCH  17  21
ATOM     21  C   LIG    1        4.632  -0.322   0.815  0.00  0.00    +0.255 C 
ATOM     22  N   LIG    1        5.287   0.714   0.137  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1        4.856   1.261  -1.141  0.00  0.00    +0.132 C 
ATOM     24  C   LIG    1        6.627   1.077   0.566  0.00  0.00    +0.132 C 
ATOM     25  O   LIG    1        5.226  -1.003   1.651  0.00  0.00    -0.269 OA
ENDBRANCH  17  21
ENDBRANCH   2  15
TORSDOF 4