REMARK  Name = BDB003817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.282   0.075  -0.267  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.726  -0.745  -0.039  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.786   1.008  -1.149  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -1.493   1.847  -1.696  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -6.481  -1.898   0.344  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -5.482  -1.208   0.546  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.280  -1.820   0.812  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.368  -2.821   0.940  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.987  -1.448   0.522  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.084  -2.285   0.621  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.716  -0.029   0.008  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -3.152   1.055   0.994  0.00  0.00    +0.032 C 
ATOM     13  C   LIG    1       -4.607   0.975   1.459  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1       -5.537   0.302   0.460  0.00  0.00    +0.096 C 
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1        0.671   0.935  -1.450  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        1.592   0.391  -0.542  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        2.962   0.334  -0.852  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        3.387   0.842  -2.091  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.477   1.401  -2.991  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        1.122   1.452  -2.669  0.00  0.00    +0.013 A 
BRANCH  17  21
ATOM     21  C   LIG    1        3.928  -0.239   0.099  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.777  -1.293  -0.279  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.692  -1.840   0.624  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.774  -1.341   1.922  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.943  -0.296   2.317  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.027   0.249   1.413  0.00  0.00    +0.008 A 
ENDBRANCH  17  21
ENDBRANCH   3  15
TORSDOF 3