blob: fc0b88b36de4cd81a3ebdea7dba0d3b69928b84b (plain)

ofs	hex dump	ascii
0000	ca fe ba be 00 00 00 31 00 a2 07 00 9f 07 00 a0 07 00 a1 01 00 0c 61 64 64 41 74 6f 6d 43 6c 6f	.......1..............addAtomClo
0020	6e 65 01 00 1a 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 29 5a 01	ne...(Ljoelib2/molecule/Atom;)Z.
0040	00 07 61 64 64 42 6f 6e 64 01 00 06 28 49 49 49 29 5a 01 00 07 28 49 49 49 49 29 5a 01 00 08 28	..addBond...(III)Z...(IIII)Z...(
0060	49 49 49 49 49 29 5a 01 00 0c 61 64 64 42 6f 6e 64 43 6c 6f 6e 65 01 00 1a 28 4c 6a 6f 65 6c 69	IIIII)Z...addBondClone...(Ljoeli
0080	62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 42 6f 6e 64 3b 29 5a 01 00 07 61 64 64 44 61 74 61 01 00 24	b2/molecule/Bond;)Z...addData..$
00a0	28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 74 79 70 65 73 2f 50 61 69 72 44 61 74	(Ljoelib2/molecule/types/PairDat
00c0	61 3b 29 56 01 00 25 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 74 79 70 65 73 2f	a;)V..%(Ljoelib2/molecule/types/
00e0	50 61 69 72 44 61 74 61 3b 5a 29 56 01 00 0c 61 64 64 48 79 64 72 6f 67 65 6e 73 01 00 03 28 29	PairData;Z)V...addHydrogens...()
0100	5a 01 00 04 28 5a 29 5a 01 00 05 28 5a 5a 29 5a 01 00 06 28 5a 5a 5a 29 5a 01 00 11 61 64 64 50	Z...(Z)Z...(ZZ)Z...(ZZZ)Z...addP
0120	6f 6c 61 72 48 79 64 72 6f 67 65 6e 73 01 00 0a 61 64 64 52 65 73 69 64 75 65 01 00 23 28 4c 6a	olarHydrogens...addResidue..#(Lj
0140	6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 74 79 70 65 73 2f 52 65 73 69 64 75 65 3b 29 5a	oelib2/molecule/types/Residue;)Z
0160	01 00 05 61 6c 69 67 6e 01 00 5f 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74	...align.._(Ljoelib2/molecule/At
0180	6f 6d 3b 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 4c 6a 6f 65 6c 69	om;Ljoelib2/molecule/Atom;Ljoeli
01a0	62 32 2f 6d 61 74 68 2f 56 65 63 74 6f 72 33 44 3b 4c 6a 6f 65 6c 69 62 32 2f 6d 61 74 68 2f 56	b2/math/Vector3D;Ljoelib2/math/V
01c0	65 63 74 6f 72 33 44 3b 29 56 01 00 0c 61 74 6f 6d 49 74 65 72 61 74 6f 72 01 00 26 28 29 4c 6a	ector3D;)V...atomIterator..&()Lj
01e0	6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72 2f 41 74 6f 6d 49 74 65 72 61 74 6f	oelib2/util/iterator/AtomIterato
0200	72 3b 01 00 0b 62 65 67 69 6e 4d 6f 64 69 66 79 01 00 03 28 29 56 01 00 0c 62 6f 6e 64 49 74 65	r;...beginModify...()V...bondIte
0220	72 61 74 6f 72 01 00 26 28 29 4c 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72	rator..&()Ljoelib2/util/iterator
0240	2f 42 6f 6e 64 49 74 65 72 61 74 6f 72 3b 01 00 05 63 6c 65 61 72 01 00 05 63 6c 6f 6e 65 01 00	/BondIterator;...clear...clone..
0260	14 28 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 6a 65 63 74 3b 01 00 15 28 5a 29 4c 6a 61 76 61	.()Ljava/lang/Object;...(Z)Ljava
0280	2f 6c 61 6e 67 2f 4f 62 6a 65 63 74 3b 01 00 28 28 5a 5b 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74	/lang/Object;..((Z[Ljava/lang/St
02a0	72 69 6e 67 3b 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 6a 65 63 74 3b 01 00 0c 64 65 63 72 65	ring;)Ljava/lang/Object;...decre
02c0	6d 65 6e 74 4d 6f 64 01 00 0a 64 65 6c 65 74 65 41 74 6f 6d 01 00 0a 64 65 6c 65 74 65 42 6f 6e	mentMod...deleteAtom...deleteBon
02e0	64 01 00 0a 64 65 6c 65 74 65 44 61 74 61 01 00 15 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72	d...deleteData...(Ljava/lang/Str
0300	69 6e 67 3b 29 5a 01 00 13 28 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73 74 3b 29 56 01 00 0e 64	ing;)Z...(Ljava/util/List;)V...d
0320	65 6c 65 74 65 48 79 64 72 6f 67 65 6e 01 00 0f 64 65 6c 65 74 65 48 79 64 72 6f 67 65 6e 73 01	eleteHydrogen...deleteHydrogens.
0340	00 17 64 65 6c 65 74 65 4e 6f 6e 50 6f 6c 61 72 48 79 64 72 6f 67 65 6e 73 01 00 0d 64 65 6c 65	..deleteNonPolarHydrogens...dele
0360	74 65 52 65 73 69 64 75 65 01 00 09 65 6e 64 4d 6f 64 69 66 79 01 00 04 28 5a 29 56 01 00 05 28	teResidue...endModify...(Z)V...(
0380	5a 5a 29 56 01 00 06 65 71 75 61 6c 73 01 00 15 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62 6a 65	ZZ)V...equals...(Ljava/lang/Obje
03a0	63 74 3b 29 5a 01 00 1e 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63	ct;)Z...(Ljoelib2/molecule/Molec
03c0	75 6c 65 3b 29 5a 01 00 0a 65 78 69 73 74 73 42 6f 6e 64 01 00 05 28 49 49 29 5a 01 00 0c 66 69	ule;)Z...existsBond...(II)Z...fi
03e0	6e 64 43 68 69 6c 64 72 65 6e 01 00 15 28 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73 74 3b 49 49	ndChildren...(Ljava/util/List;II
0400	29 56 01 00 09 53 69 67 6e 61 74 75 72 65 01 00 2e 28 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73	)V...Signature...(Ljava/util/Lis
0420	74 3c 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 3e 3b 49 49 29 56 01	t<Ljoelib2/molecule/Atom;>;II)V.
0440	00 41 28 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73 74 3b 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65	.A(Ljava/util/List;Ljoelib2/mole
0460	63 75 6c 65 2f 41 74 6f 6d 3b 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d	cule/Atom;Ljoelib2/molecule/Atom
0480	3b 29 56 01 00 5a 28 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73 74 3c 4c 6a 6f 65 6c 69 62 32 2f	;)V..Z(Ljava/util/List<Ljoelib2/
04a0	6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 3e 3b 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c	molecule/Atom;>;Ljoelib2/molecul
04c0	65 2f 41 74 6f 6d 3b 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 29 56	e/Atom;Ljoelib2/molecule/Atom;)V
04e0	01 00 13 66 69 6e 64 4c 61 72 67 65 73 74 46 72 61 67 6d 65 6e 74 01 00 1b 28 4c 6a 6f 65 6c 69	...findLargestFragment...(Ljoeli
0500	62 32 2f 75 74 69 6c 2f 42 69 74 56 65 63 74 6f 72 3b 29 56 01 00 13 67 65 6e 65 72 69 63 44 61	b2/util/BitVector;)V...genericDa
0520	74 61 49 74 65 72 61 74 6f 72 01 00 2a 28 29 4c 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65	taIterator..*()Ljoelib2/util/ite
0540	72 61 74 6f 72 2f 50 61 69 72 44 61 74 61 49 74 65 72 61 74 6f 72 3b 01 00 07 67 65 74 41 74 6f	rator/PairDataIterator;...getAto
0560	6d 01 00 1a 28 49 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 01 00	m...(I)Ljoelib2/molecule/Atom;..
0580	08 67 65 74 41 74 6f 6d 73 01 00 12 28 29 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73 74 3b 01 00	.getAtoms...()Ljava/util/List;..
05a0	2b 28 29 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c 69 73 74 3c 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65	+()Ljava/util/List<Ljoelib2/mole
05c0	63 75 6c 65 2f 41 74 6f 6d 3b 3e 3b 01 00 0c 67 65 74 41 74 6f 6d 73 53 69 7a 65 01 00 03 28 29	cule/Atom;>;...getAtomsSize...()
05e0	49 01 00 07 67 65 74 42 6f 6e 64 01 00 1a 28 49 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75	I...getBond...(I)Ljoelib2/molecu
0600	6c 65 2f 42 6f 6e 64 3b 01 00 1b 28 49 49 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65	le/Bond;...(II)Ljoelib2/molecule
0620	2f 42 6f 6e 64 3b 01 00 47 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d	/Bond;..G(Ljoelib2/molecule/Atom
0640	3b 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 29 4c 6a 6f 65 6c 69 62	;Ljoelib2/molecule/Atom;)Ljoelib
0660	32 2f 6d 6f 6c 65 63 75 6c 65 2f 42 6f 6e 64 3b 01 00 08 67 65 74 42 6f 6e 64 73 01 00 0c 67 65	2/molecule/Bond;...getBonds...ge
0680	74 42 6f 6e 64 73 53 69 7a 65 01 00 07 67 65 74 44 61 74 61 01 00 35 28 4c 6a 61 76 61 2f 6c 61	tBondsSize...getData..5(Ljava/la
06a0	6e 67 2f 53 74 72 69 6e 67 3b 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 74 79 70	ng/String;)Ljoelib2/molecule/typ
06c0	65 73 2f 50 61 69 72 44 61 74 61 3b 01 00 36 28 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e	es/PairData;..6(Ljava/lang/Strin
06e0	67 3b 5a 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 74 79 70 65 73 2f 50 61 69 72	g;Z)Ljoelib2/molecule/types/Pair
0700	44 61 74 61 3b 01 00 0b 67 65 74 44 61 74 61 53 69 7a 65 01 00 0f 67 65 74 44 65 70 72 6f 74 6f	Data;...getDataSize...getDeproto
0720	6e 61 74 65 64 01 00 1d 28 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65	nated...()Ljoelib2/molecule/Mole
0740	63 75 6c 65 3b 01 00 09 67 65 74 45 6e 65 72 67 79 01 00 03 28 29 44 01 00 0c 67 65 74 46 69 72	cule;...getEnergy...()D...getFir
0760	73 74 41 74 6f 6d 01 00 19 28 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f	stAtom...()Ljoelib2/molecule/Ato
0780	6d 3b 01 00 08 67 65 74 46 6c 61 67 73 01 00 13 67 65 74 48 65 61 76 79 41 74 6f 6d 73 4e 75 6d	m;...getFlags...getHeavyAtomsNum
07a0	62 65 72 01 00 0c 67 65 74 49 6e 70 75 74 54 79 70 65 01 00 15 28 29 4c 6a 6f 65 6c 69 62 32 2f	ber...getInputType...()Ljoelib2/
07c0	69 6f 2f 49 4f 54 79 70 65 3b 01 00 16 67 65 74 4d 6f 64 69 66 69 63 61 74 69 6f 6e 43 6f 75 6e	io/IOType;...getModificationCoun
07e0	74 65 72 01 00 0d 67 65 74 4f 75 74 70 75 74 54 79 70 65 01 00 16 67 65 74 50 61 72 74 69 61 6c	ter...getOutputType...getPartial
0800	43 68 61 72 67 65 56 65 6e 64 6f 72 01 00 14 28 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69	ChargeVendor...()Ljava/lang/Stri
0820	6e 67 3b 01 00 0a 67 65 74 52 65 73 69 64 75 65 01 00 23 28 49 29 4c 6a 6f 65 6c 69 62 32 2f 6d	ng;...getResidue..#(I)Ljoelib2/m
0840	6f 6c 65 63 75 6c 65 2f 74 79 70 65 73 2f 52 65 73 69 64 75 65 3b 01 00 0f 67 65 74 52 65 73 69	olecule/types/Residue;...getResi
0860	64 75 65 73 53 69 7a 65 01 00 0f 67 65 74 52 69 6e 67 49 74 65 72 61 74 6f 72 01 00 26 28 29 4c	duesSize...getRingIterator..&()L
0880	6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74 6f 72 2f 52 69 6e 67 49 74 65 72 61 74	joelib2/util/iterator/RingIterat
08a0	6f 72 3b 01 00 0d 67 65 74 52 6f 74 6f 72 73 53 69 7a 65 01 00 07 67 65 74 53 53 53 52 01 00 08	or;...getRotorsSize...getSSSR...
08c0	67 65 74 54 69 74 6c 65 01 00 05 68 61 73 32 44 01 00 05 68 61 73 33 44 01 00 14 68 61 73 41 72	getTitle...has2D...has3D...hasAr
08e0	6f 6d 61 74 69 63 43 6f 72 72 65 63 74 65 64 01 00 12 68 61 73 43 68 61 69 6e 73 50 65 72 63 65	omaticCorrected...hasChainsPerce
0900	69 76 65 64 01 00 07 68 61 73 44 61 74 61 01 00 08 68 61 73 68 43 6f 64 65 01 00 11 68 61 73 48	ived...hasData...hashCode...hasH
0920	79 64 72 6f 67 65 6e 73 41 64 64 65 64 01 00 10 68 61 73 4e 6f 6e 5a 65 72 6f 43 6f 6f 72 64 73	ydrogensAdded...hasNonZeroCoords
0940	01 00 0c 69 6e 63 72 65 6d 65 6e 74 4d 6f 64 01 00 0a 69 6e 73 65 72 74 41 74 6f 6d 01 00 14 69	...incrementMod...insertAtom...i
0960	73 41 73 73 69 67 6e 46 6f 72 6d 61 6c 43 68 61 72 67 65 01 00 15 69 73 41 73 73 69 67 6e 50 61	sAssignFormalCharge...isAssignPa
0980	72 74 69 61 6c 43 68 61 72 67 65 01 00 08 69 73 43 68 69 72 61 6c 01 00 10 69 73 43 6f 72 72 65	rtialCharge...isChiral...isCorre
09a0	63 74 65 64 46 6f 72 50 48 01 00 07 69 73 45 6d 70 74 79 01 00 11 69 73 4d 6f 6c 65 63 75 6c 65	ctedForPH...isEmpty...isMolecule
09c0	48 61 73 68 69 6e 67 01 00 08 6b 65 6b 75 6c 69 7a 65 01 00 13 6e 61 74 69 76 65 56 61 6c 75 65	Hashing...kekulize...nativeValue
09e0	49 74 65 72 61 74 6f 72 01 00 2d 28 29 4c 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61	Iterator..-()Ljoelib2/util/itera
0a00	74 6f 72 2f 4e 61 74 69 76 65 56 61 6c 75 65 49 74 65 72 61 74 6f 72 3b 01 00 07 6e 65 77 41 74	tor/NativeValueIterator;...newAt
0a20	6f 6d 01 00 1a 28 5a 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 01	om...(Z)Ljoelib2/molecule/Atom;.
0a40	00 07 6e 65 77 42 6f 6e 64 01 00 19 28 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f	..newBond...()Ljoelib2/molecule/
0a60	42 6f 6e 64 3b 01 00 0a 6e 65 77 52 65 73 69 64 75 65 01 00 22 28 29 4c 6a 6f 65 6c 69 62 32 2f	Bond;...newResidue.."()Ljoelib2/
0a80	6d 6f 6c 65 63 75 6c 65 2f 74 79 70 65 73 2f 52 65 73 69 64 75 65 3b 01 00 06 72 65 48 61 73 68	molecule/types/Residue;...reHash
0aa0	01 00 0d 72 65 6e 75 6d 62 65 72 41 74 6f 6d 73 01 00 2c 28 4c 6a 61 76 61 2f 75 74 69 6c 2f 4c	...renumberAtoms..,(Ljava/util/L
0ac0	69 73 74 3c 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 41 74 6f 6d 3b 3e 3b 29 56 01	ist<Ljoelib2/molecule/Atom;>;)V.
0ae0	00 0c 72 65 73 65 72 76 65 41 74 6f 6d 73 01 00 04 28 49 29 56 01 00 0f 72 65 73 69 64 75 65 49	..reserveAtoms...(I)V...residueI
0b00	74 65 72 61 74 6f 72 01 00 29 28 29 4c 6a 6f 65 6c 69 62 32 2f 75 74 69 6c 2f 69 74 65 72 61 74	terator..)()Ljoelib2/util/iterat
0b20	6f 72 2f 52 65 73 69 64 75 65 49 74 65 72 61 74 6f 72 3b 01 00 03 73 65 74 01 00 38 28 4c 6a 6f	or/ResidueIterator;...set..8(Ljo
0b40	65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 3b 29 4c 6a 6f 65 6c 69 62	elib2/molecule/Molecule;)Ljoelib
0b60	32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 3b 01 00 4c 28 4c 6a 6f 65 6c 69 62 32	2/molecule/Molecule;..L(Ljoelib2
0b80	2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 3b 5a 5b 4c 6a 61 76 61 2f 6c 61 6e 67 2f	/molecule/Molecule;Z[Ljava/lang/
0ba0	53 74 72 69 6e 67 3b 29 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75	String;)Ljoelib2/molecule/Molecu
0bc0	6c 65 3b 01 00 4d 28 4c 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c	le;..M(Ljoelib2/molecule/Molecul
0be0	65 3b 5a 5b 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 5a 29 4c 6a 6f 65 6c 69 62 32	e;Z[Ljava/lang/String;Z)Ljoelib2
0c00	2f 6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 3b 01 00 06 73 65 74 41 64 64 01 00 14 73	/molecule/Molecule;...setAdd...s
0c20	65 74 41 72 6f 6d 61 74 69 63 43 6f 72 72 65 63 74 65 64 01 00 15 73 65 74 41 73 73 69 67 6e 46	etAromaticCorrected...setAssignF
0c40	6f 72 6d 61 6c 43 68 61 72 67 65 01 00 16 73 65 74 41 73 73 69 67 6e 50 61 72 74 69 61 6c 43 68	ormalCharge...setAssignPartialCh
0c60	61 72 67 65 01 00 12 73 65 74 43 68 61 69 6e 73 50 65 72 63 65 69 76 65 64 01 00 11 73 65 74 43	arge...setChainsPerceived...setC
0c80	6f 72 72 65 63 74 65 64 46 6f 72 50 48 01 00 09 73 65 74 45 6e 65 72 67 79 01 00 04 28 44 29 56	orrectedForPH...setEnergy...(D)V
0ca0	01 00 11 73 65 74 48 79 64 72 6f 67 65 6e 73 41 64 64 65 64 01 00 0c 73 65 74 49 6e 70 75 74 54	...setHydrogensAdded...setInputT
0cc0	79 70 65 01 00 16 28 4c 6a 6f 65 6c 69 62 32 2f 69 6f 2f 49 4f 54 79 70 65 3b 29 56 01 00 12 73	ype...(Ljoelib2/io/IOType;)V...s
0ce0	65 74 4d 6f 6c 65 63 75 6c 65 48 61 73 68 69 6e 67 01 00 0d 73 65 74 4f 75 74 70 75 74 54 79 70	etMoleculeHashing...setOutputTyp
0d00	65 01 00 16 73 65 74 50 61 72 74 69 61 6c 43 68 61 72 67 65 56 65 6e 64 6f 72 01 00 15 28 4c 6a	e...setPartialChargeVendor...(Lj
0d20	61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 29 56 01 00 08 73 65 74 54 69 74 6c 65 01 00 08	ava/lang/String;)V...setTitle...
0d40	74 6f 53 74 72 69 6e 67 01 00 27 28 4c 6a 6f 65 6c 69 62 32 2f 69 6f 2f 49 4f 54 79 70 65 3b 29	toString..'(Ljoelib2/io/IOType;)
0d60	4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 01 00 15 28 5a 29 4c 6a 61 76 61 2f 6c 61	Ljava/lang/String;...(Z)Ljava/la
0d80	6e 67 2f 53 74 72 69 6e 67 3b 01 00 28 28 4c 6a 6f 65 6c 69 62 32 2f 69 6f 2f 49 4f 54 79 70 65	ng/String;..((Ljoelib2/io/IOType
0da0	3b 5a 29 4c 6a 61 76 61 2f 6c 61 6e 67 2f 53 74 72 69 6e 67 3b 01 00 19 6a 6f 65 6c 69 62 32 2f	;Z)Ljava/lang/String;...joelib2/
0dc0	6d 6f 6c 65 63 75 6c 65 2f 4d 6f 6c 65 63 75 6c 65 01 00 10 6a 61 76 61 2f 6c 61 6e 67 2f 4f 62	molecule/Molecule...java/lang/Ob
0de0	6a 65 63 74 01 00 16 6a 6f 65 6c 69 62 32 2f 6d 6f 6c 65 63 75 6c 65 2f 47 72 61 70 68 06 01 00	ject...joelib2/molecule/Graph...
0e00	01 00 02 00 01 00 03 00 00 00 73 04 01 00 04 00 05 00 00 04 01 00 06 00 07 00 00 04 01 00 06 00	..........s.....................
0e20	08 00 00 04 01 00 06 00 09 00 00 04 01 00 0a 00 0b 00 00 04 01 00 0c 00 0d 00 00 04 01 00 0c 00	................................
0e40	0e 00 00 04 01 00 0f 00 10 00 00 04 01 00 0f 00 11 00 00 04 01 00 0f 00 05 00 00 04 01 00 0f 00	................................
0e60	12 00 00 04 01 00 0f 00 13 00 00 04 01 00 14 00 10 00 00 04 01 00 15 00 16 00 00 04 01 00 17 00	................................
0e80	18 00 00 04 01 00 19 00 1a 00 00 04 01 00 1b 00 1c 00 00 04 01 00 1d 00 1e 00 00 04 01 00 1f 00	................................
0ea0	10 00 00 04 01 00 20 00 21 00 00 04 01 00 20 00 22 00 00 04 01 00 20 00 23 00 00 04 01 00 24 00	........!.......".......#.....$.
0ec0	1c 00 00 04 01 00 25 00 05 00 00 04 01 00 26 00 0b 00 00 04 01 00 27 00 28 00 00 04 01 00 27 00	......%.......&.......'.(.....'.
0ee0	0d 00 00 04 01 00 27 00 29 00 00 04 01 00 2a 00 05 00 00 04 01 00 2b 00 10 00 00 04 01 00 2b 00	......'.).....*.......+.......+.
0f00	05 00 00 04 01 00 2c 00 10 00 00 04 01 00 2d 00 16 00 00 04 01 00 2e 00 1c 00 00 04 01 00 2e 00	......,.......-.................
0f20	2f 00 00 04 01 00 2e 00 30 00 00 04 01 00 31 00 32 00 00 04 01 00 31 00 33 00 00 04 01 00 34 00	/.......0.....1.2.....1.3.....4.
0f40	35 00 00 04 01 00 36 00 37 00 01 00 38 00 00 00 02 00 39 04 01 00 36 00 3a 00 01 00 38 00 00 00	5.....6.7...8.....9...6.:...8...
0f60	02 00 3b 04 01 00 3c 00 3d 00 00 04 01 00 3e 00 3f 00 00 04 01 00 40 00 41 00 00 04 01 00 42 00	..;...<.=.....>.?.....@.A.....B.
0f80	43 00 01 00 38 00 00 00 02 00 44 04 01 00 45 00 46 00 00 04 01 00 47 00 48 00 00 04 01 00 47 00	C...8.....D...E.F.....G.H.....G.
0fa0	49 00 00 04 01 00 47 00 4a 00 00 04 01 00 4b 00 43 00 00 04 01 00 4c 00 46 00 00 04 01 00 4d 00	I.....G.J.....K.C.....L.F.....M.
0fc0	4e 00 00 04 01 00 4d 00 4f 00 00 04 01 00 50 00 46 00 00 04 01 00 51 00 52 00 00 04 01 00 53 00	N.....M.O.....P.F.....Q.R.....S.
0fe0	54 00 00 04 01 00 55 00 56 00 00 04 01 00 57 00 46 00 00 04 01 00 58 00 46 00 00 04 01 00 59 00	T.....U.V.....W.F.....X.F.....Y.
1000	5a 00 00 04 01 00 5b 00 46 00 00 04 01 00 5c 00 5a 00 00 04 01 00 5d 00 5e 00 00 04 01 00 5f 00	Z.....[.F.....\.Z.....].^....._.
1020	60 00 00 04 01 00 61 00 46 00 00 04 01 00 62 00 63 00 00 04 01 00 64 00 46 00 00 04 01 00 65 00	`.....a.F.....b.c.....d.F.....e.
1040	43 00 00 04 01 00 66 00 5e 00 00 04 01 00 67 00 10 00 00 04 01 00 68 00 10 00 00 04 01 00 69 00	C.....f.^.....g.......h.......i.
1060	10 00 00 04 01 00 6a 00 10 00 00 04 01 00 6b 00 28 00 00 04 01 00 6c 00 46 00 00 04 01 00 6d 00	......j.......k.(.....l.F.....m.
1080	10 00 00 04 01 00 6e 00 10 00 00 04 01 00 6f 00 1c 00 00 04 01 00 70 00 05 00 00 04 01 00 71 00	......n.......o.......p.......q.
10a0	10 00 00 04 01 00 72 00 10 00 00 04 01 00 73 00 10 00 00 04 01 00 74 00 10 00 00 04 01 00 75 00	......r.......s.......t.......u.
10c0	10 00 00 04 01 00 76 00 10 00 00 04 01 00 77 00 10 00 00 04 01 00 78 00 79 00 00 04 01 00 7a 00	......v.......w.......x.y.....z.
10e0	56 00 00 04 01 00 7a 00 7b 00 00 04 01 00 7c 00 7d 00 00 04 01 00 7e 00 7f 00 00 04 01 00 80 00	V.....z.{.....|.}.....~.........
1100	46 00 00 04 01 00 81 00 29 00 01 00 38 00 00 00 02 00 82 04 01 00 83 00 84 00 00 04 01 00 85 00	F.......)...8...................
1120	86 00 00 04 01 00 87 00 88 00 00 04 01 00 87 00 89 00 00 04 01 00 87 00 8a 00 00 04 01 00 8b 00	................................
1140	88 00 00 04 01 00 8c 00 1c 00 00 04 01 00 8d 00 2f 00 00 04 01 00 8e 00 2f 00 00 04 01 00 8f 00	................/......./.......
1160	1c 00 00 04 01 00 90 00 1c 00 00 04 01 00 91 00 92 00 00 04 01 00 93 00 1c 00 00 04 01 00 94 00	................................
1180	95 00 00 04 01 00 96 00 2f 00 00 04 01 00 97 00 95 00 00 04 01 00 98 00 99 00 00 04 01 00 9a 00	......../.......................
11a0	99 00 00 04 01 00 9b 00 5e 00 00 04 01 00 9b 00 9c 00 00 04 01 00 9b 00 9d 00 00 04 01 00 9b 00	........^.......................
11c0	9e 00 00 00 00	.....