Program 3.

MCM_ENUMERATE(f, , c)

1:	′ ← {}
2:	l ← ℒ (Vc − Vf)
3:	ℬ ← ℒ (Ec − Ef)
4:	for each molecule ℳ with embeddings ℳ ∈ do
5:	← {υ ∈ Vℳ |ℒ (υ) = l}
6:	′ℳ ← {}
7:	for each conformer with embeddings ∈ ℳ do
8:	′ ← {}
9:	for each embedding ε ∈ do
10:	e ← – ε
11:	′ε ← {}
12:	for each υ ∈ e do
13:	for i ← 1 to| ε| do
14:	u ← εi
15:	if ∃(υ,u) ∈ Gℳc,ℒ (υ,u) = ℬI
16:	then i ← i + 1
17:	else break
18:	if i >| ε|
19:	then ′ε ← ′ε ∪ { ε ∪ υ}
20:	′ ← ′ ∪ { ′ε}
21:	′ℳ ← ′ℳ ∪ { ′}
22:	′ ← ′ ∪ { ′ℳ}
23:	if | ′|+ # remaining mol. in < σ · | |
24:	then return {}
25:	return ′