REMARK  Name = BDB017829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.033   2.478   0.210  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.409   2.167   0.499  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.969   3.140   1.332  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -2.300   3.082   1.703  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.077   2.015   1.235  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.532   1.027   0.388  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.036   4.197   1.669  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.182   1.120   0.013  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        1.350   3.477   1.342  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.326  -0.089  -0.111  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -2.771  -1.133  -0.852  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -3.782  -1.920  -1.106  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -4.005  -3.196  -1.809  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -5.413  -3.591  -1.292  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -6.080  -2.281  -0.829  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -4.935  -1.435  -0.578  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -4.692  -0.280   0.065  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1        3.174   1.350  -0.186  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1        1.880   1.310   0.265  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1        1.469   0.439   0.573  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        3.696   2.347  -0.671  0.00  0.00    -0.270 OA
BRANCH  18  29
ATOM     22  C   LIG    1        6.447  -1.932  -2.179  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        5.508  -1.467  -1.110  0.00  0.00    +0.017 A 
ATOM     24  N   LIG    1        5.371  -2.269   0.001  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1        5.892  -3.135   0.070  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.569  -1.977   1.075  0.00  0.00    +0.250 A 
ATOM     27  O   LIG    1        4.478  -2.710   2.053  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1        3.805  -0.711   0.999  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1        3.915   0.057  -0.098  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        4.809  -0.324  -1.176  0.00  0.00    +0.034 A 
ENDBRANCH  18  29
ENDBRANCH   1  19
TORSDOF 3