molecule.xtbtopo.mol

 xtb: 6.6.0 (conda-forge)
          08042303483D

 16 16  0     0  0            999 V2000
    3.0684    1.2684   -3.0799 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572    1.4028   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    1.1478   -0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -0.0025   -0.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    2.3442    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    2.7466    0.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    0.8905   -0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    1.6447   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2506    0.2179   -1.4877 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126    1.7512   -2.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -0.1414    0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3947    2.8446    0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485    0.6442    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4467    1.9095   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1479    2.3103   -2.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0084   -0.3535   -1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END