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*** Test 1 ***
>>
*** Test 2 ***
[H][H]
[H][H]
>>[H][H]
*** Test 3 ***
Before layout:
Has coord: False
Has Z coord: False
After layout:
Has coord: True
Has Z coord: False
CCCC.>>CCCC.
After z set:
Has coord: True
Has Z coord: True
After layout:
Has coord: True
Has Z coord: False
*** Serialize from SMILES ***
*** Unfold hydrogens ***
CCCCCC>>CNCNCNCNCN
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]>>C([H])([H])([H])N([H])C([H])([H])N([H])C([H])([H])N([H])C([H])([H])N([H])C([H])([H])N([H])[H]
*** Get and Map molecule ***
0: CCC, CCC
1: NNN, NNN
2: OOO, OOO
3: [W], [W]
4: CNC, CNC
5: NCN, NCN
6: CNC, CNC
7: N, N
8: OOO, OOO
9: CCC, CCC
10: NNN, NNN
NNN
OOO
CNC
NCN
OOO
*** Serialize catalysts ***
CCCCCC>CNO>CNCNCNCNCN
CCCCCC>CNO>CNCNCNCNCN
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