2244
     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
  -17.2334   -5.4951    2.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0938   -3.8235    0.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9621   -3.2015    1.3992 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3818   -6.7019    0.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9632   -5.9632    2.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8724   -5.2643    1.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7617   -7.1573    3.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5802   -5.7595    2.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4695   -7.6525    3.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3789   -6.9536    2.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0605   -4.0152    1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8696   -5.9525    1.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2553   -5.3841    1.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  1 12  1  0
  2 11  1  0
  3 11  2  0
  4 12  2  0
  5  6  2  0
  5  7  1  0
  6  8  1  0
  6 11  1  0
  7  9  2  0
  8 10  2  0
  9 10  1  0
 12 13  1  0
M  END

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
1 2 acceptor
1 3 acceptor
1 4 acceptor
3 2 3 11 anion
6 5 6 7 8 9 10 rings


$$$$
166295140
     RDKit          3D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -2.8293    0.2150    1.4768 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0626    0.7806   -0.2297 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990   -2.7308   -0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    0.9098    0.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2386   -1.4812    1.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537    0.6911   -0.1687 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396   -0.0288   -0.0987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8484   -0.6331   -0.7303 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3589   -0.8260   -0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8195    0.4211    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7941    1.4679   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493    1.3657   -0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.6304    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856    0.8393   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    0.2690   -1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121    0.3708    1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0
  2 10  1  0
  3 13  1  0
  4 14  1  0
  4 16  1  0
  5 13  2  0
  6  8  1  0
  6 11  1  0
  6 12  1  0
  7 15  1  0
  7 16  2  0
  8  9  1  0
  8 13  1  1
  9 10  1  0
 10 11  1  0
 12 14  1  0
 14 15  2  0
M  END

> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 3 acceptor
1 5 acceptor
1 6 cation
3 3 5 13 anion
5 4 7 14 15 16 rings
5 6 8 9 10 11 rings

$$$$