12 12 -5.4241 0.7804 0.0000 C -6.1386 0.3679 0.0000 C -6.1386 -0.4572 0.0000 C -5.4241 -0.8697 0.0000 O -4.7096 -0.4572 0.0000 C -4.7096 0.3679 0.0000 C -6.8530 -0.8696 0.0000 C -6.8530 -0.0447 0.0000 C -4.4639 -1.1821 0.0000 C -3.7947 -0.3572 0.0000 C -3.1497 -0.9414 0.0000 C -6.8530 0.7804 0.0000 O 1 2 1 1 1 6 1 1 2 3 1 1 3 4 1 1 4 5 1 1 5 6 1 1 3 7 1 1 3 8 1 1 5 9 1 1 5 10 1 1 10 11 2 2 2 12 1 1
A Python package for graph kernels, graph edit distances and graph pre-image problem.