[ bondedtypes ] 
; Col 1: Type of bond 
; Col 2: Type of angles 
; Col 3: Type of proper dihedrals 
; Col 4: Type of improper dihedrals 
; Col 5: Generate all dihedrals if 1, only heavy atoms of 0. 
; Col 6: Number of excluded neighbors for nonbonded interactions 
; Col 7: Generate 1,4 interactions between pairs of hydrogens if 1 
; Col 8: Remove propers over the same bond as an improper if it is 1 
; bonds  angles  dihedrals  impropers all_dihedrals nrexcl HH14 RemoveDih 
     1       5          9        2        1           3      1     0 

[ ALA ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT3	-0.27	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	HB3	HA	0.09	1
	C	C	0.51	2
	O	O	-0.51	2
 [ bonds ]
	CB	CA
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CB	HB3
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ ARG ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CT2	-0.18	2
	HG1	HA	0.09	2
	HG2	HA	0.09	2
	CD	CT2	0.20	3
	HD1	HA	0.09	3
	HD2	HA	0.09	3
	NE	NC2	-0.70	3
	HE	HC	0.44	3
	CZ	C	0.64	3
	NH1	NC2	-0.80	3
	HH11	HC	0.46	3
	HH12	HC	0.46	3
	NH2	NC2	-0.80	3
	HH21	HC	0.46	3
	HH22	HC	0.46	3
	C	C	0.51	4
	O	O	-0.51	4
 [ bonds ]
	CB	CA
	CG	CB
	CD	CG
	NE	CD
	CZ	NE
	NH2	CZ
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CG	HG1
	CG	HG2
	CD	HD1
	CD	HD2
	NE	HE
	NH1	HH11
	NH1	HH12
	NH2	HH21
	NH2	HH22
	O	C
	CZ	NH1
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O
	CZ	NH1	NH2	NE

[ ASN ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CC	0.55	2
	OD1	O	-0.55	2
	ND2	NH2	-0.62	3
	HD21	H	0.32	3
	HD22	H	0.30	3
	C	C	0.51	4
	O	O	-0.51	4
 [ bonds ]
	CB	CA
	CG	CB
	ND2	CG
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	ND2	HD21
	ND2	HD22
	C	O
	CG	OD1
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O
	CG	ND2	CB	OD1
	CG	CB	ND2	OD1
	ND2	CG	HD21	HD22
	ND2	CG	HD22	HD21

[ ASP ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.28	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CC	0.62	1
	OD1	OC	-0.76	1
	OD2	OC	-0.76	1
	C	C	0.51	2
	O	O	-0.51	2
 [ bonds ]
	CB	CA
	CG	CB
	OD2	CG
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	O	C
	CG	OD1
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O
	CG	CB	OD2	OD1

[ CYSH ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.11	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	SG	S	-0.23	1
	HG1	HS	0.16	1
	C	C	0.51	2
	O	O	-0.51	2
 [ bonds ]
	CB	CA
	SG	CB
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	SG	HG1
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ CYS2 ] ; aka CYX
 [ atoms ]
        N       NH1     -0.47   0
        HN      H       0.31    0
        CA      CT1     0.07    0
        HA      HB      0.09    0
        CB      CT2     -0.10   1
        HB1     HA      0.09    1
        HB2     HA      0.09    1
        SG      SM      -0.08   1
        C       C       0.51    2
        O       O       -0.51   2
 [ bonds ]
        CB      CA
        SG      CB
        N       HN
        N       CA
        C       CA
        C       +N
        CA      HA
        CB      HB1
        CB      HB2
        O       C
 [ impropers ]
        N       -C      CA      HN
        C       CA      +N      O



[ GLN ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CT2	-0.18	2
	HG1	HA	0.09	2
	HG2	HA	0.09	2
	CD	CC	0.55	3
	OE1	O	-0.55	3
	NE2	NH2	-0.62	4
	HE21	H	0.32	4
	HE22	H	0.30	4
	C	C	0.51	5
	O	O	-0.51	5
 [ bonds ]
	CB	CA
	CG	CB
	CD	CG
	NE2	CD
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CG	HG1
	CG	HG2
	NE2	HE21
	NE2	HE22
	O	C
	CD	OE1
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O
	CD	NE2	CG	OE1
	CD	CG	NE2	OE1
	NE2	CD	HE21	HE22
	NE2	CD	HE22	HE21

[ GLU ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CT2	-0.28	2
	HG1	HA	0.09	2
	HG2	HA	0.09	2
	CD	CC	0.62	2
	OE1	OC	-0.76	2
	OE2	OC	-0.76	2
	C	C	0.51	3
	O	O	-0.51	3
 [ bonds ]
	CB	CA
	CG	CB
	CD	CG
	OE2	CD
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CG	HG1
	CG	HG2
	O	C
	CD	OE1
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O
	CD	CG	OE2	OE1

[ GLY ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT2	-0.02	0
	HA1	HB	0.09	0
	HA2	HB	0.09	0
	C	C	0.51	1
	O	O	-0.51	1
 [ bonds ]
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA1
	CA	HA2
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ HSD ]
 [ atoms ]
        N       NH1     -0.47   0
        HN      H       0.31    0
        CA      CT1     0.07    0
        HA      HB      0.09    0
        CB      CT2     -0.09   1
        HB1     HA      0.09    1
        HB2     HA      0.09    1
        ND1     NR1     -0.36   1
        HD1     H       0.32    1
        CG      CPH1    -0.05   1
        CE1     CPH2    0.25    2
        HE1     HR1     0.13    2
        NE2     NR2     -0.70   2
        CD2     CPH1    0.22    2
        HD2     HR3     0.10    2
        C       C       0.51    3
        O       O       -0.51   3
 [ bonds ]
        CB      CA
        CG      CB
        ND1     CG
        CE1     ND1
        NE2     CD2
        N       HN
        N       CA
        C       CA
        C       +N
        CA      HA
        CB      HB1
        CB      HB2
        ND1     HD1
        CD2     HD2
        CE1     HE1
        O       C
        CG      CD2
        CE1     NE2
 [ impropers ]
        ND1     CG      CE1     HD1
        CD2     CG      NE2     HD2
        CE1     ND1     NE2     HE1
        ND1     CE1     CG      HD1
        CD2     NE2     CG      HD2
        CE1     NE2     ND1     HE1
        N       -C      CA      HN
        C       CA      +N      O

[ HISA ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.09	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	ND1	NR1	-0.36	1
	HD1	H	0.32	1
	CG	CPH1	-0.05	1
	CE1	CPH2	0.25	2
	HE1	HR1	0.13	2
	NE2	NR2	-0.70	2
	CD2	CPH1	0.22	2
	HD2	HR3	0.10	2
	C	C	0.51	3
	O	O	-0.51	3
 [ bonds ]
	CB	CA
	CG	CB
	ND1	CG
	CE1	ND1
	NE2	CD2
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	ND1	HD1
	CD2	HD2
	CE1	HE1
	O	C
	CG	CD2
	CE1	NE2
 [ impropers ]
	ND1	CG	CE1	HD1
	CD2	CG	NE2	HD2
	CE1	ND1	NE2	HE1
	ND1	CE1	CG	HD1
	CD2	NE2	CG	HD2
	CE1	NE2	ND1	HE1
	N	-C	CA	HN
	C	CA	+N	O

[ HSE ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.08	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	ND1	NR2	-0.70	1
	CG	CPH1	0.22	1
	CE1	CPH2	0.25	1
	HE1	HR1	0.13	1
	NE2	NR1	-0.36	2
	HE2	H	0.32	2
	CD2	CPH1	-0.05	2
	HD2	HR3	0.09	2
	C	C	0.51	3
	O	O	-0.51	3
 [ bonds ]
	CB	CA
	CG	CB
	ND1	CG
	NE2	CD2
	N	HN
	N	CA
	C	CA
	C	+N
	NE2	CE1
	CA	HA
	CB	HB1
	CB	HB2
	NE2	HE2
	CD2	HD2
	CE1	HE1
	O	C
	CD2	CG
	CE1	ND1
 [ impropers ]
	NE2	CD2	CE1	HE2
	CD2	CG	NE2	HD2
	CE1	ND1	NE2	HE1
	NE2	CE1	CD2	HE2
	CD2	NE2	CG	HD2
	CE1	NE2	ND1	HE1
	N	-C	CA	HN
	C	CA	+N	O

[ HISB ]
 [ atoms ]
        N       NH1     -0.47   0
        HN      H       0.31    0
        CA      CT1     0.07    0
        HA      HB      0.09    0
        CB      CT2     -0.08   1
        HB1     HA      0.09    1
        HB2     HA      0.09    1
        ND1     NR2     -0.70   1
        CG      CPH1    0.22    1
        CE1     CPH2    0.25    1
        HE1     HR1     0.13    1
        NE2     NR1     -0.36   2
        HE2     H       0.32    2
        CD2     CPH1    -0.05   2
        HD2     HR3     0.09    2
        C       C       0.51    3
        O       O       -0.51   3
 [ bonds ]
        CB      CA
        CG      CB
        ND1     CG
        NE2     CD2
        N       HN
        N       CA
        C       CA
        C       +N
        NE2     CE1
        CA      HA
        CB      HB1
        CB      HB2
        NE2     HE2
        CD2     HD2
        CE1     HE1
        O       C
        CD2     CG
        CE1     ND1
 [ impropers ]
        NE2     CD2     CE1     HE2
        CD2     CG      NE2     HD2
        CE1     ND1     NE2     HE1
        NE2     CE1     CD2     HE2
        CD2     NE2     CG      HD2
        CE1     NE2     ND1     HE1
        N       -C      CA      HN
        C       CA      +N      O

[ HSP ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.05	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CD2	CPH1	0.19	1
	HD2	HR1	0.13	1
	CG	CPH1	0.19	1
	NE2	NR3	-0.51	2
	HE2	H	0.44	2
	ND1	NR3	-0.51	2
	HD1	H	0.44	2
	CE1	CPH2	0.32	2
	HE1	HR2	0.18	2
	C	C	0.51	3
	O	O	-0.51	3
 [ bonds ]
	CB	CA
	CG	CB
	ND1	CG
	CE1	ND1
	NE2	CD2
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	ND1	HD1
	NE2	HE2
	CD2	HD2
	CE1	HE1
	O	C
	CD2	CG
	NE2	CE1
 [ impropers ]
	ND1	CG	CE1	HD1
	ND1	CE1	CG	HD1
	NE2	CD2	CE1	HE2
	NE2	CE1	CD2	HE2
	N	-C	CA	HN
	C	CA	+N	O

[ HISH ]
 [ atoms ]
        N       NH1     -0.47   0
        HN      H       0.31    0
        CA      CT1     0.07    0
        HA      HB      0.09    0
        CB      CT2     -0.05   1
        HB1     HA      0.09    1
        HB2     HA      0.09    1
        CD2     CPH1    0.19    1
        HD2     HR1     0.13    1
        CG      CPH1    0.19    1
        NE2     NR3     -0.51   2
        HE2     H       0.44    2
        ND1     NR3     -0.51   2
        HD1     H       0.44    2
        CE1     CPH2    0.32    2
        HE1     HR2     0.18    2
        C       C       0.51    3
        O       O       -0.51   3
 [ bonds ]
        CB      CA
        CG      CB
        ND1     CG
        CE1     ND1
        NE2     CD2
        N       HN
        N       CA
        C       CA
        C       +N
        CA      HA
        CB      HB1
        CB      HB2
        ND1     HD1
        NE2     HE2
        CD2     HD2
        CE1     HE1
        O       C
        CD2     CG
        NE2     CE1
 [ impropers ]
        ND1     CG      CE1     HD1
        ND1     CE1     CG      HD1
        NE2     CD2     CE1     HE2
        NE2     CE1     CD2     HE2
        N       -C      CA      HN
        C       CA      +N      O

[ ILE ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT1	-0.09	1
	HB	HA	0.09	1
	CG2	CT3	-0.27	2
	HG21	HA	0.09	2
	HG22	HA	0.09	2
	HG23	HA	0.09	2
	CG1	CT2	-0.18	3
	HG11	HA	0.09	3
	HG12	HA	0.09	3
	CD	CT3	-0.27	4
	HD1	HA	0.09	4
	HD2	HA	0.09	4
	HD3	HA	0.09	4
	C	C	0.51	5
	O	O	-0.51	5
 [ bonds ]
	CB	CA
	CG1	CB
	CG2	CB
	CD	CG1
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB
	CG1	HG11
	CG1	HG12
	CG2	HG21
	CG2	HG22
	CG2	HG23
	CD	HD1
	CD	HD2
	CD	HD3
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ LEU ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CT1	-0.09	2
	HG	HA	0.09	2
	CD1	CT3	-0.27	3
	HD11	HA	0.09	3
	HD12	HA	0.09	3
	HD13	HA	0.09	3
	CD2	CT3	-0.27	4
	HD21	HA	0.09	4
	HD22	HA	0.09	4
	HD23	HA	0.09	4
	C	C	0.51	5
	O	O	-0.51	5
 [ bonds ]
	CB	CA
	CG	CB
	CD1	CG
	CD2	CG
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CG	HG
	CD1	HD11
	CD1	HD12
	CD1	HD13
	CD2	HD21
	CD2	HD22
	CD2	HD23
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ LYSH ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CT2	-0.18	2
	HG1	HA	0.09	2
	HG2	HA	0.09	2
	CD	CT2	-0.18	3
	HD1	HA	0.09	3
	HD2	HA	0.09	3
	CE	CT2	0.21	4
	HE1	HA	0.05	4
	HE2	HA	0.05	4
	NZ	NH3	-0.30	4
	HZ1	HC	0.33	4
	HZ2	HC	0.33	4
	HZ3	HC	0.33	4
	C	C	0.51	5
	O	O	-0.51	5
 [ bonds ]
	CB	CA
	CG	CB
	CD	CG
	CE	CD
	NZ	CE
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CG	HG1
	CG	HG2
	CD	HD1
	CD	HD2
	CE	HE1
	CE	HE2
	O	C
	NZ	HZ1
	NZ	HZ2
	NZ	HZ3
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ MET ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CT2	-0.14	2
	HG1	HA	0.09	2
	HG2	HA	0.09	2
	SD	S	-0.09	2
	CE	CT3	-0.22	2
	HE1	HA	0.09	2
	HE2	HA	0.09	2
	HE3	HA	0.09	2
	C	C	0.51	3
	O	O	-0.51	3
 [ bonds ]
	CB	CA
	CG	CB
	SD	CG
	CE	SD
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CG	HG1
	CG	HG2
	CE	HE1
	CE	HE2
	CE	HE3
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ PHE ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CA	0.00	2
	CD1	CA	-0.115	3
	HD1	HP	0.115	3
	CE1	CA	-0.115	4
	HE1	HP	0.115	4
	CZ	CA	-0.115	5
	HZ	HP	0.115	5
	CD2	CA	-0.115	6
	HD2	HP	0.115	6
	CE2	CA	-0.115	7
	HE2	HP	0.115	7
	C	C	0.51	8
	O	O	-0.51	8
 [ bonds ]
	CB	CA
	CG	CB
	CD2	CG
	CE1	CD1
	CZ	CE2
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CD1	HD1
	CD2	HD2
	CE1	HE1
	O	C
	CD1	CG
	CZ	CE1
	CE2	CD2
	CE2	HE2
	CZ	HZ
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ PRO ]
 [ atoms ]
	N	N	-0.29	0
	CD	CP3	0.00	0
	HD1	HA	0.09	0
	HD2	HA	0.09	0
	CA	CP1	0.02	0
	HA	HB	0.09	0
	CB	CP2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CP2	-0.18	2
	HG1	HA	0.09	2
	HG2	HA	0.09	2
	C	C	0.51	3
	O	O	-0.51	3
 [ bonds ]
	C	CA
	C	+N
	N	CA
	CA	CB
	CB	CG
	CG	CD
	N	CD
	HA	CA
	HG1	CG
	HG2	CG
	HD1	CD
	HD2	CD
	HB1	CB
	HB2	CB
	O	C
 [ impropers ]
	N	-C	CA	CD
	C	CA	+N	O

[ SER ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	0.05	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	OG	OH1	-0.66	1
	HG1	H	0.43	1
	C	C	0.51	2
	O	O	-0.51	2
 [ bonds ]
	CB	CA
	OG	CB
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	OG	HG1
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ THR ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT1	0.14	1
	HB	HA	0.09	1
	OG1	OH1	-0.66	1
	HG1	H	0.43	1
	CG2	CT3	-0.27	2
	HG21	HA	0.09	2
	HG22	HA	0.09	2
	HG23	HA	0.09	2
	C	C	0.51	3
	O	O	-0.51	3
 [ bonds ]
	CB	CA
	OG1	CB
	CG2	CB
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB
	OG1	HG1
	CG2	HG21
	CG2	HG22
	CG2	HG23
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ TRP ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CY	-0.03	2
	CD1	CA	0.035	2
	HD1	HP	0.115	2
	NE1	NY	-0.61	2
	HE1	H	0.38	2
	CE2	CPT	0.13	2
	CD2	CPT	-0.02	2
	CE3	CA	-0.115	3
	HE3	HP	0.115	3
	CZ3	CA	-0.115	4
	HZ3	HP	0.115	4
	CZ2	CA	-0.115	5
	HZ2	HP	0.115	5
	CH2	CA	-0.115	6
	HH2	HP	0.115	6
	C	C	0.51	7
	O	O	-0.51	7
 [ bonds ]
	CB	CA
	CG	CB
	CD2	CG
	NE1	CD1
	CZ2	CE2
	N	HN
	N	CA
	C	CA
	C	+N
	CZ3	CH2
	CD2	CE3
	NE1	CE2
	CA	HA
	CB	HB1
	CB	HB2
	CD1	HD1
	NE1	HE1
	CE3	HE3
	CZ2	HZ2
	CZ3	HZ3
	CH2	HH2
	O	C
	CD1	CG
	CE2	CD2
	CZ3	CE3
	CH2	CZ2
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ TYR ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT2	-0.18	1
	HB1	HA	0.09	1
	HB2	HA	0.09	1
	CG	CA	0.00	2
	CD1	CA	-0.115	3
	HD1	HP	0.115	3
	CE1	CA	-0.115	4
	HE1	HP	0.115	4
	CZ	CA	0.11	5
	OH	OH1	-0.54	5
	HH	H	0.43	5
	CD2	CA	-0.115	6
	HD2	HP	0.115	6
	CE2	CA	-0.115	7
	HE2	HP	0.115	7
	C	C	0.51	8
	O	O	-0.51	8
 [ bonds ]
	CB	CA
	CG	CB
	CD2	CG
	CE1	CD1
	CZ	CE2
	OH	CZ
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB1
	CB	HB2
	CD1	HD1
	CD2	HD2
	CE1	HE1
	CE2	HE2
	OH	HH
	O	C
	CD1	CG
	CE1	CZ
	CE2	CD2
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ VAL ]
 [ atoms ]
	N	NH1	-0.47	0
	HN	H	0.31	0
	CA	CT1	0.07	0
	HA	HB	0.09	0
	CB	CT1	-0.09	1
	HB	HA	0.09	1
	CG1	CT3	-0.27	2
	HG11	HA	0.09	2
	HG12	HA	0.09	2
	HG13	HA	0.09	2
	CG2	CT3	-0.27	3
	HG21	HA	0.09	3
	HG22	HA	0.09	3
	HG23	HA	0.09	3
	C	C	0.51	4
	O	O	-0.51	4
 [ bonds ]
	CB	CA
	CG1	CB
	CG2	CB
	N	HN
	N	CA
	C	CA
	C	+N
	CA	HA
	CB	HB
	CG1	HG11
	CG1	HG12
	CG1	HG13
	CG2	HG21
	CG2	HG22
	CG2	HG23
	O	C
 [ impropers ]
	N	-C	CA	HN
	C	CA	+N	O

[ ALAD ]
 [ atoms ]
	CL	CT3	-0.27	0
	HL1	HA	0.09	0
	HL2	HA	0.09	0
	HL3	HA	0.09	0
	CLP	C	0.51	1
	OL	O	-0.51	1
	NL	NH1	-0.47	2
	HL	H	0.31	2
	CA	CT1	0.07	2
	HA	HB	0.09	2
	CB	CT3	-0.27	3
	HB1	HA	0.09	3
	HB2	HA	0.09	3
	HB3	HA	0.09	3
	CRP	C	0.51	4
	OR	O	-0.51	4
	NR	NH1	-0.47	5
	HR	H	0.31	5
	CR	CT3	-0.11	5
	HR1	HA	0.09	5
	HR2	HA	0.09	5
	HR3	HA	0.09	5
 [ bonds ]
	CL	CLP
	CLP	NL
	NL	CA
	CA	CRP
	CRP	NR
	NR	CR
	CLP	OL
	CRP	OR
	NL	HL
	NR	HR
	CA	HA
	CA	CB
	CL	HL1
	CL	HL2
	CL	HL3
	CB	HB1
	CB	HB2
	CB	HB3
	CR	HR1
	CR	HR2
	CR	HR3
 [ impropers ]
	CLP	CL	NL	OL
	NL	CLP	CA	HL
	CRP	CA	NR	OR
	NR	CRP	CR	HR

[ TIP3 ]
 [ atoms ]
	OH2	OT	-0.834	0
	H1	HT	0.417	0
	H2	HT	0.417	0
 [ bonds ]
	OH2	H1
	OH2	H2
	H1	H2

[ TP3M ]
 [ atoms ]
	OH2	OT	-0.834	0
	H1	HT	0.417	0
	H2	HT	0.417	0
 [ bonds ]
	OH2	H1
	OH2	H2

[ SOL ]
 [ atoms ]
        OH2     OT      -0.834  0
        H1      HT      0.417   0
        H2      HT      0.417   0
 [ bonds ]
        OH2     H1
        OH2     H2
        H1      H2

; for now this water uses Gromacs names on atoms,
; to work with the stupid automatic renaming in xlateall.dat
[ HOH ]
 [ atoms ]
        OW       OT      -0.834  0
        HW1      HT      0.417   0
        HW2      HT      0.417   0
 [ bonds ]
        OW     HW1
	OW     HW2
	HW1    HW2



[ SOD ]
 [ atoms ]
	SOD	SOD	1.00	0

[ MG ]
 [ atoms ]
	MG	MG	2.00	0

[ POT ]
 [ atoms ]
	POT	POT	1.00	0

[ CES ]
 [ atoms ]
	CES	CES	1.00	0

[ CAL ]
 [ atoms ]
	CAL	CAL	2.00	0

[ CLA ]
 [ atoms ]
	CLA	CLA	-1.00	0

[ ZN2 ]
 [ atoms ]
	ZN	ZN	2.00	0

[ LPPC ]
 [ atoms ]
	N	NTL	-0.60	0
	C13	CTL5	-0.35	0
	H13A	HL	0.25	0
	H13B	HL	0.25	0
	H13C	HL	0.25	0
	C14	CTL5	-0.35	0
	H14A	HL	0.25	0
	H14B	HL	0.25	0
	H14C	HL	0.25	0
	C15	CTL5	-0.35	0
	H15A	HL	0.25	0
	H15B	HL	0.25	0
	H15C	HL	0.25	0
	C12	CTL2	-0.10	0
	H12A	HL	0.25	0
	H12B	HL	0.25	0
	C11	CTL2	-0.08	1
	H11A	HAL2	0.09	1
	H11B	HAL2	0.09	1
	P	PL	1.50	1
	O13	O2L	-0.78	1
	O14	O2L	-0.78	1
	O11	OSL	-0.57	1
	O12	OSL	-0.57	1
	C1	CTL2	-0.08	1
	HA	HAL2	0.09	1
	HB	HAL2	0.09	1
	C2	CTL2	-0.18	2
	HS	HAL2	0.09	2
	HR	HAL2	0.09	2
	C3	CTL2	-0.05	3
	HX	HAL2	0.09	3
	HY	HAL2	0.09	3
	O31	OSL	-0.34	3
	C31	CL	0.63	3
	O32	OBL	-0.52	3
	C32	CTL2	-0.08	3
	H2X	HAL2	0.09	3
	H2Y	HAL2	0.09	3
	C33	CTL2	-0.18	4
	H3X	HAL2	0.09	4
	H3Y	HAL2	0.09	4
	C34	CTL2	-0.18	5
	H4X	HAL2	0.09	5
	H4Y	HAL2	0.09	5
	C35	CTL2	-0.18	6
	H5X	HAL2	0.09	6
	H5Y	HAL2	0.09	6
	C36	CTL2	-0.18	7
	H6X	HAL2	0.09	7
	H6Y	HAL2	0.09	7
	C37	CTL2	-0.18	8
	H7X	HAL2	0.09	8
	H7Y	HAL2	0.09	8
	C38	CTL2	-0.18	9
	H8X	HAL2	0.09	9
	H8Y	HAL2	0.09	9
	C39	CTL2	-0.18	10
	H9X	HAL2	0.09	10
	H9Y	HAL2	0.09	10
	C310	CTL2	-0.18	11
	H10X	HAL2	0.09	11
	H10Y	HAL2	0.09	11
	C311	CTL2	-0.18	12
	H11X	HAL2	0.09	12
	H11Y	HAL2	0.09	12
	C312	CTL3	-0.27	13
	H12X	HAL3	0.09	13
	H12Y	HAL3	0.09	13
	H12Z	HAL3	0.09	13
 [ bonds ]
	N	C13
	N	C14
	N	C15
	C13	H13A
	C13	H13B
	C13	H13C
	C14	H14A
	C14	H14B
	C14	H14C
	C15	H15A
	C15	H15B
	C15	H15C
	N	C12
	C12	H12A
	C12	H12B
	C12	C11
	C11	H11A
	C11	H11B
	C11	O12
	O12	P
	P	O11
	P	O13
	P	O14
	C1	HA
	C1	HB
	C1	C2
	C1	O11
	C2	HS
	C2	HR
	C2	C3
	C3	HX
	C3	HY
	C3	O31
	O31	C31
	C31	C32
	C31	O32
	C32	H2X
	C32	H2Y
	C32	C33
	C33	H3X
	C33	H3Y
	C33	C34
	C34	H4X
	C34	H4Y
	C34	C35
	C35	H5X
	C35	H5Y
	C35	C36
	C36	H6X
	C36	H6Y
	C36	C37
	C37	H7X
	C37	H7Y
	C37	C38
	C38	H8X
	C38	H8Y
	C38	C39
	C39	H9X
	C39	H9Y
	C39	C310
	C310	H10X
	C310	H10Y
	C310	C311
	C311	H11X
	C311	H11Y
	C311	C312
	C312	H12X
	C312	H12Y
	C312	H12Z
 [ impropers ]
	C31	O31	C32	O32

[ GPE ]
 [ atoms ]
	N	NH3L	-0.30	0
	HN1	HCL	0.33	0
	HN2	HCL	0.33	0
	HN3	HCL	0.33	0
	C12	CTL2	0.13	0
	H12A	HAL2	0.09	0
	H12B	HAL2	0.09	0
	C11	CTL2	-0.08	1
	H11A	HAL2	0.09	1
	H11B	HAL2	0.09	1
	P	PL	1.50	1
	O13	O2L	-0.78	1
	O14	O2L	-0.78	1
	O11	OSL	-0.57	1
	O12	OSL	-0.57	1
	C1	CTL2	-0.08	1
	HA	HAL2	0.09	1
	HB	HAL2	0.09	1
	C2	CTL1	0.14	2
	HS	HAL1	0.09	2
	OH2	OHL	-0.66	2
	HO2	HOL	0.43	2
	C3	CTL2	0.05	3
	HX	HAL2	0.09	3
	HY	HAL2	0.09	3
	OH3	OHL	-0.66	3
	HO3	HOL	0.43	3
 [ bonds ]
	N	HN1
	N	HN2
	N	HN3
	N	C12
	C12	H12A
	C12	H12B
	C12	C11
	C11	H11A
	C11	H11B
	C11	O12
	O12	P
	P	O11
	P	O13
	P	O14
	C1	HA
	C1	HB
	C1	C2
	C1	O11
	C2	HS
	C2	C3
	C2	OH2
	C3	HX
	C3	HY
	C3	OH3
	OH2	HO2
	OH3	HO3

[ DLPE ]
 [ atoms ]
	N	NH3L	-0.30	0
	HN1	HCL	0.33	0
	HN2	HCL	0.33	0
	HN3	HCL	0.33	0
	C12	CTL2	0.13	0
	H12A	HAL2	0.09	0
	H12B	HAL2	0.09	0
	C11	CTL2	-0.08	1
	H11A	HAL2	0.09	1
	H11B	HAL2	0.09	1
	P	PL	1.50	1
	O13	O2L	-0.78	1
	O14	O2L	-0.78	1
	O11	OSL	-0.57	1
	O12	OSL	-0.57	1
	C1	CTL2	-0.08	1
	HA	HAL2	0.09	1
	HB	HAL2	0.09	1
	C2	CTL1	0.04	2
	HS	HAL1	0.09	2
	O21	OSL	-0.34	2
	C21	CL	0.63	2
	O22	OBL	-0.52	2
	C22	CTL2	-0.08	2
	H2R	HAL2	0.09	2
	H2S	HAL2	0.09	2
	C3	CTL2	-0.05	3
	HX	HAL2	0.09	3
	HY	HAL2	0.09	3
	O31	OSL	-0.34	3
	C31	CL	0.63	3
	O32	OBL	-0.52	3
	C32	CTL2	-0.08	3
	H2X	HAL2	0.09	3
	H2Y	HAL2	0.09	3
	C23	CTL2	-0.18	4
	H3R	HAL2	0.09	4
	H3S	HAL2	0.09	4
	C24	CTL2	-0.18	5
	H4R	HAL2	0.09	5
	H4S	HAL2	0.09	5
	C25	CTL2	-0.18	6
	H5R	HAL2	0.09	6
	H5S	HAL2	0.09	6
	C26	CTL2	-0.18	7
	H6R	HAL2	0.09	7
	H6S	HAL2	0.09	7
	C27	CTL2	-0.18	8
	H7R	HAL2	0.09	8
	H7S	HAL2	0.09	8
	C28	CTL2	-0.18	9
	H8R	HAL2	0.09	9
	H8S	HAL2	0.09	9
	C29	CTL2	-0.18	10
	H9R	HAL2	0.09	10
	H9S	HAL2	0.09	10
	C210	CTL2	-0.18	11
	H10R	HAL2	0.09	11
	H10S	HAL2	0.09	11
	C211	CTL2	-0.18	12
	H11R	HAL2	0.09	12
	H11S	HAL2	0.09	12
	C212	CTL3	-0.27	13
	H12R	HAL3	0.09	13
	H12S	HAL3	0.09	13
	H12T	HAL3	0.09	13
	C33	CTL2	-0.18	14
	H3X	HAL2	0.09	14
	H3Y	HAL2	0.09	14
	C34	CTL2	-0.18	15
	H4X	HAL2	0.09	15
	H4Y	HAL2	0.09	15
	C35	CTL2	-0.18	16
	H5X	HAL2	0.09	16
	H5Y	HAL2	0.09	16
	C36	CTL2	-0.18	17
	H6X	HAL2	0.09	17
	H6Y	HAL2	0.09	17
	C37	CTL2	-0.18	18
	H7X	HAL2	0.09	18
	H7Y	HAL2	0.09	18
	C38	CTL2	-0.18	19
	H8X	HAL2	0.09	19
	H8Y	HAL2	0.09	19
	C39	CTL2	-0.18	20
	H9X	HAL2	0.09	20
	H9Y	HAL2	0.09	20
	C310	CTL2	-0.18	21
	H10X	HAL2	0.09	21
	H10Y	HAL2	0.09	21
	C311	CTL2	-0.18	22
	H11X	HAL2	0.09	22
	H11Y	HAL2	0.09	22
	C312	CTL3	-0.27	23
	H12X	HAL3	0.09	23
	H12Y	HAL3	0.09	23
	H12Z	HAL3	0.09	23
 [ bonds ]
	N	HN1
	N	HN2
	N	HN3
	N	C12
	C12	H12A
	C12	H12B
	C12	C11
	C11	H11A
	C11	H11B
	C11	O12
	O12	P
	P	O11
	P	O13
	P	O14
	C1	HA
	C1	HB
	C1	C2
	C1	O11
	C2	HS
	C2	C3
	C2	O21
	C3	HX
	C3	HY
	C3	O31
	O21	C21
	C21	C22
	C21	O22
	C22	H2R
	C22	H2S
	C22	C23
	C23	H3R
	C23	H3S
	C23	C24
	C24	H4R
	C24	H4S
	C24	C25
	C25	H5R
	C25	H5S
	C25	C26
	C26	H6R
	C26	H6S
	C26	C27
	C27	H7R
	C27	H7S
	C27	C28
	C28	H8R
	C28	H8S
	C28	C29
	C29	H9R
	C29	H9S
	C29	C210
	C210	H10R
	C210	H10S
	C210	C211
	C211	H11R
	C211	H11S
	C211	C212
	C212	H12R
	C212	H12S
	C212	H12T
	O31	C31
	C31	C32
	C31	O32
	C32	H2X
	C32	H2Y
	C32	C33
	C33	H3X
	C33	H3Y
	C33	C34
	C34	H4X
	C34	H4Y
	C34	C35
	C35	H5X
	C35	H5Y
	C35	C36
	C36	H6X
	C36	H6Y
	C36	C37
	C37	H7X
	C37	H7Y
	C37	C38
	C38	H8X
	C38	H8Y
	C38	C39
	C39	H9X
	C39	H9Y
	C39	C310
	C310	H10X
	C310	H10Y
	C310	C311
	C311	H11X
	C311	H11Y
	C311	C312
	C312	H12X
	C312	H12Y
	C312	H12Z
 [ impropers ]
	C21	O21	C22	O22
	C31	O31	C32	O32

[ DMPC ]
 [ atoms ]
	N	NTL	-0.60	0
	C13	CTL5	-0.35	0
	H13A	HL	0.25	0
	H13B	HL	0.25	0
	H13C	HL	0.25	0
	C14	CTL5	-0.35	0
	H14A	HL	0.25	0
	H14B	HL	0.25	0
	H14C	HL	0.25	0
	C15	CTL5	-0.35	0
	H15A	HL	0.25	0
	H15B	HL	0.25	0
	H15C	HL	0.25	0
	C12	CTL2	-0.10	0
	H12A	HL	0.25	0
	H12B	HL	0.25	0
	C11	CTL2	-0.08	1
	H11A	HAL2	0.09	1
	H11B	HAL2	0.09	1
	P	PL	1.50	1
	O13	O2L	-0.78	1
	O14	O2L	-0.78	1
	O11	OSL	-0.57	1
	O12	OSL	-0.57	1
	C1	CTL2	-0.08	1
	HA	HAL2	0.09	1
	HB	HAL2	0.09	1
	C2	CTL1	0.04	2
	HS	HAL1	0.09	2
	O21	OSL	-0.34	2
	C21	CL	0.63	2
	O22	OBL	-0.52	2
	C22	CTL2	-0.08	2
	H2R	HAL2	0.09	2
	H2S	HAL2	0.09	2
	C3	CTL2	-0.05	3
	HX	HAL2	0.09	3
	HY	HAL2	0.09	3
	O31	OSL	-0.34	3
	C31	CL	0.63	3
	O32	OBL	-0.52	3
	C32	CTL2	-0.08	3
	H2X	HAL2	0.09	3
	H2Y	HAL2	0.09	3
	C23	CTL2	-0.18	4
	H3R	HAL2	0.09	4
	H3S	HAL2	0.09	4
	C24	CTL2	-0.18	5
	H4R	HAL2	0.09	5
	H4S	HAL2	0.09	5
	C25	CTL2	-0.18	6
	H5R	HAL2	0.09	6
	H5S	HAL2	0.09	6
	C26	CTL2	-0.18	7
	H6R	HAL2	0.09	7
	H6S	HAL2	0.09	7
	C27	CTL2	-0.18	8
	H7R	HAL2	0.09	8
	H7S	HAL2	0.09	8
	C28	CTL2	-0.18	9
	H8R	HAL2	0.09	9
	H8S	HAL2	0.09	9
	C29	CTL2	-0.18	10
	H9R	HAL2	0.09	10
	H9S	HAL2	0.09	10
	C210	CTL2	-0.18	11
	H10R	HAL2	0.09	11
	H10S	HAL2	0.09	11
	C211	CTL2	-0.18	12
	H11R	HAL2	0.09	12
	H11S	HAL2	0.09	12
	C212	CTL2	-0.18	13
	H12R	HAL2	0.09	13
	H12S	HAL2	0.09	13
	C213	CTL2	-0.18	14
	H13R	HAL2	0.09	14
	H13S	HAL2	0.09	14
	C214	CTL3	-0.27	15
	H14R	HAL3	0.09	15
	H14S	HAL3	0.09	15
	H14T	HAL3	0.09	15
	C33	CTL2	-0.18	16
	H3X	HAL2	0.09	16
	H3Y	HAL2	0.09	16
	C34	CTL2	-0.18	17
	H4X	HAL2	0.09	17
	H4Y	HAL2	0.09	17
	C35	CTL2	-0.18	18
	H5X	HAL2	0.09	18
	H5Y	HAL2	0.09	18
	C36	CTL2	-0.18	19
	H6X	HAL2	0.09	19
	H6Y	HAL2	0.09	19
	C37	CTL2	-0.18	20
	H7X	HAL2	0.09	20
	H7Y	HAL2	0.09	20
	C38	CTL2	-0.18	21
	H8X	HAL2	0.09	21
	H8Y	HAL2	0.09	21
	C39	CTL2	-0.18	22
	H9X	HAL2	0.09	22
	H9Y	HAL2	0.09	22
	C310	CTL2	-0.18	23
	H10X	HAL2	0.09	23
	H10Y	HAL2	0.09	23
	C311	CTL2	-0.18	24
	H11X	HAL2	0.09	24
	H11Y	HAL2	0.09	24
	C312	CTL2	-0.18	25
	H12X	HAL2	0.09	25
	H12Y	HAL2	0.09	25
	C313	CTL2	-0.18	26
	H13X	HAL2	0.09	26
	H13Y	HAL2	0.09	26
	C314	CTL3	-0.27	27
	H14X	HAL3	0.09	27
	H14Y	HAL3	0.09	27
	H14Z	HAL3	0.09	27
 [ bonds ]
	N	C13
	N	C14
	N	C15
	C13	H13A
	C13	H13B
	C13	H13C
	C14	H14A
	C14	H14B
	C14	H14C
	C15	H15A
	C15	H15B
	C15	H15C
	N	C12
	C12	H12A
	C12	H12B
	C12	C11
	C11	H11A
	C11	H11B
	C11	O12
	O12	P
	P	O11
	P	O13
	P	O14
	C1	HA
	C1	HB
	C1	C2
	C1	O11
	C2	HS
	C2	C3
	C2	O21
	C3	HX
	C3	HY
	C3	O31
	O21	C21
	C21	C22
	C21	O22
	C22	H2R
	C22	H2S
	C22	C23
	C23	H3R
	C23	H3S
	C23	C24
	C24	H4R
	C24	H4S
	C24	C25
	C25	H5R
	C25	H5S
	C25	C26
	C26	H6R
	C26	H6S
	C26	C27
	C27	H7R
	C27	H7S
	C27	C28
	C28	H8R
	C28	H8S
	C28	C29
	C29	H9R
	C29	H9S
	C29	C210
	C210	H10R
	C210	H10S
	C210	C211
	C211	H11R
	C211	H11S
	C211	C212
	C212	H12R
	C212	H12S
	C212	C213
	C213	H13R
	C213	H13S
	C213	C214
	C214	H14R
	C214	H14S
	C214	H14T
	O31	C31
	C31	C32
	C31	O32
	C32	H2X
	C32	H2Y
	C32	C33
	C33	H3X
	C33	H3Y
	C33	C34
	C34	H4X
	C34	H4Y
	C34	C35
	C35	H5X
	C35	H5Y
	C35	C36
	C36	H6X
	C36	H6Y
	C36	C37
	C37	H7X
	C37	H7Y
	C37	C38
	C38	H8X
	C38	H8Y
	C38	C39
	C39	H9X
	C39	H9Y
	C39	C310
	C310	H10X
	C310	H10Y
	C310	C311
	C311	H11X
	C311	H11Y
	C311	C312
	C312	H12X
	C312	H12Y
	C312	C313
	C313	H13X
	C313	H13Y
	C313	C314
	C314	H14X
	C314	H14Y
	C314	H14Z
 [ impropers ]
	C21	O21	C22	O22
	C31	O31	C32	O32

[ SDS ]
 [ atoms ]
	S	SL	1.33	0
	OS1	OSL	-0.28	0
	OS2	O2L	-0.65	0
	OS3	O2L	-0.65	0
	OS4	O2L	-0.65	0
	C1	CTL2	-0.28	0
	H11	HAL2	0.09	0
	H12	HAL2	0.09	0
	C2	CTL2	-0.18	1
	H21	HAL2	0.09	1
	H22	HAL2	0.09	1
	C3	CTL2	-0.18	2
	H31	HAL2	0.09	2
	H32	HAL2	0.09	2
	C4	CTL2	-0.18	3
	H41	HAL2	0.09	3
	H42	HAL2	0.09	3
	C5	CTL2	-0.18	4
	H51	HAL2	0.09	4
	H52	HAL2	0.09	4
	C6	CTL2	-0.18	5
	H61	HAL2	0.09	5
	H62	HAL2	0.09	5
	C7	CTL2	-0.18	6
	H71	HAL2	0.09	6
	H72	HAL2	0.09	6
	C8	CTL2	-0.18	7
	H81	HAL2	0.09	7
	H82	HAL2	0.09	7
	C9	CTL2	-0.18	8
	H91	HAL2	0.09	8
	H92	HAL2	0.09	8
	C10	CTL2	-0.18	9
	H101	HAL2	0.09	9
	H102	HAL2	0.09	9
	C11	CTL2	-0.18	10
	H111	HAL2	0.09	10
	H112	HAL2	0.09	10
	C12	CTL3	-0.27	11
	H121	HAL3	0.09	11
	H122	HAL3	0.09	11
	H123	HAL3	0.09	11
 [ bonds ]
	S	OS1
	S	OS2
	S	OS3
	S	OS4
	OS1	C1
	C1	H11
	C1	H12
	C1	C2
	C2	H21
	C2	H22
	C2	C3
	C3	H31
	C3	H32
	C3	C4
	C4	H41
	C4	H42
	C4	C5
	C5	H51
	C5	H52
	C5	C6
	C6	H61
	C6	H62
	C6	C7
	C7	H71
	C7	H72
	C7	C8
	C8	H81
	C8	H82
	C8	C9
	C9	H91
	C9	H92
	C9	C10
	C10	H101
	C10	H102
	C10	C11
	C11	H111
	C11	H112
	C11	C12
	C12	H121
	C12	H122
	C12	H123

[ POPC ]
 [ atoms ]
	N	NTL	-0.60	0
	C11	CTL2	-0.10	0
	C12	CTL5	-0.35	0
	C13	CTL5	-0.35	0
	C14	CTL5	-0.35	0
	H11	HL	0.25	0
	H12	HL	0.25	0
	H21	HL	0.25	0
	H22	HL	0.25	0
	H23	HL	0.25	0
	H31	HL	0.25	0
	H32	HL	0.25	0
	H33	HL	0.25	0
	H41	HL	0.25	0
	H42	HL	0.25	0
	H43	HL	0.25	0
	C15	CTL2	-0.08	1
	H51	HAL2	0.09	1
	H52	HAL2	0.09	1
	P1	PL	1.50	2
	O3	O2L	-0.78	2
	O4	O2L	-0.78	2
	O1	OSL	-0.57	2
	O2	OSL	-0.57	2
	C1	CTL2	-0.08	3
	HA	HAL2	0.09	3
	HB	HAL2	0.09	3
	C2	CTL1	0.04	4
	HS	HAL1	0.09	4
	O21	OSL	-0.34	4
	C21	CL	0.63	4
	O22	OBL	-0.52	4
	C22	CTL2	-0.08	4
	H2R	HAL2	0.09	4
	H2S	HAL2	0.09	4
	C3	CTL2	-0.05	5
	HX	HAL2	0.09	5
	HY	HAL2	0.09	5
	O31	OSL	-0.34	5
	C31	CL	0.63	5
	O32	OBL	-0.52	5
	C32	CTL2	-0.08	5
	H2X	HAL2	0.09	5
	H2Y	HAL2	0.09	5
	C23	CTL2	-0.18	6
	H3R	HAL2	0.09	6
	H3S	HAL2	0.09	6
	C24	CTL2	-0.18	7
	H4R	HAL2	0.09	7
	H4S	HAL2	0.09	7
	C25	CTL2	-0.18	8
	H5R	HAL2	0.09	8
	H5S	HAL2	0.09	8
	C26	CTL2	-0.18	9
	H6R	HAL2	0.09	9
	H6S	HAL2	0.09	9
	C27	CTL2	-0.18	10
	H7R	HAL2	0.09	10
	H7S	HAL2	0.09	10
	C28	CTL2	-0.18	11
	H8R	HAL2	0.09	11
	H8S	HAL2	0.09	11
	C29	CEL1	-0.15	12
	H91	HEL1	0.15	12
	C210	CEL1	-0.15	13
	H101	HEL1	0.15	13
	C211	CTL2	-0.18	14
	H11R	HAL2	0.09	14
	H11S	HAL2	0.09	14
	C212	CTL2	-0.18	15
	H12R	HAL2	0.09	15
	H12S	HAL2	0.09	15
	C213	CTL2	-0.18	16
	H13R	HAL2	0.09	16
	H13S	HAL2	0.09	16
	C214	CTL2	-0.18	17
	H14R	HAL2	0.09	17
	H14S	HAL2	0.09	17
	C215	CTL2	-0.18	18
	H15R	HAL2	0.09	18
	H15S	HAL2	0.09	18
	C216	CTL2	-0.18	19
	H16R	HAL2	0.09	19
	H16S	HAL2	0.09	19
	C217	CTL2	-0.18	20
	H17R	HAL2	0.09	20
	H17S	HAL2	0.09	20
	C218	CTL3	-0.27	21
	H18R	HAL3	0.09	21
	H18S	HAL3	0.09	21
	H18T	HAL3	0.09	21
	C33	CTL2	-0.18	22
	H3X	HAL2	0.09	22
	H3Y	HAL2	0.09	22
	C34	CTL2	-0.18	23
	H4X	HAL2	0.09	23
	H4Y	HAL2	0.09	23
	C35	CTL2	-0.18	24
	H5X	HAL2	0.09	24
	H5Y	HAL2	0.09	24
	C36	CTL2	-0.18	25
	H6X	HAL2	0.09	25
	H6Y	HAL2	0.09	25
	C37	CTL2	-0.18	26
	H7X	HAL2	0.09	26
	H7Y	HAL2	0.09	26
	C38	CTL2	-0.18	27
	H8X	HAL2	0.09	27
	H8Y	HAL2	0.09	27
	C39	CTL2	-0.18	28
	H9X	HAL2	0.09	28
	H9Y	HAL2	0.09	28
	C310	CTL2	-0.18	29
	H10X	HAL2	0.09	29
	H10Y	HAL2	0.09	29
	C311	CTL2	-0.18	30
	H11X	HAL2	0.09	30
	H11Y	HAL2	0.09	30
	C312	CTL2	-0.18	31
	H12X	HAL2	0.09	31
	H12Y	HAL2	0.09	31
	C313	CTL2	-0.18	32
	H13X	HAL2	0.09	32
	H13Y	HAL2	0.09	32
	C314	CTL2	-0.18	33
	H14X	HAL2	0.09	33
	H14Y	HAL2	0.09	33
	C315	CTL2	-0.18	34
	H15X	HAL2	0.09	34
	H15Y	HAL2	0.09	34
	C316	CTL3	-0.27	35
	H16X	HAL3	0.09	35
	H16Y	HAL3	0.09	35
	H16Z	HAL3	0.09	35
 [ bonds ]
	N	C11
	N	C12
	N	C13
	N	C14
	C11	H11
	C11	H12
	C11	C15
	C12	H21
	C12	H22
	C12	H23
	C13	H31
	C13	H32
	C13	H33
	C14	H41
	C14	H42
	C14	H43
	C15	H51
	C15	H52
	P1	O1
	P1	O2
	P1	O3
	P1	O4
	O1	C15
	O2	C1
	C1	HA
	C1	HB
	C1	C2
	C2	HS
	C2	C3
	C2	O21
	C3	HX
	C3	HY
	C3	O31
	O21	C21
	C21	C22
	C21	O22
	C22	H2R
	C22	H2S
	C22	C23
	C23	H3R
	C23	H3S
	C23	C24
	C24	H4R
	C24	H4S
	C24	C25
	C25	H5R
	C25	H5S
	C25	C26
	C26	H6R
	C26	H6S
	C26	C27
	C27	H7R
	C27	H7S
	C27	C28
	C28	H8R
	C28	H8S
	C28	C29
	C29	H91
	C29	C210
	C210	H101
	C210	C211
	C211	H11R
	C211	H11S
	C211	C212
	C212	H12R
	C212	H12S
	C212	C213
	C213	H13R
	C213	H13S
	C213	C214
	C214	H14R
	C214	H14S
	C214	C215
	C215	H15R
	C215	H15S
	C215	C216
	C216	H16R
	C216	H16S
	C216	C217
	C217	H17R
	C217	H17S
	C217	C218
	C218	H18R
	C218	H18S
	C218	H18T
	O31	C31
	C31	C32
	C31	O32
	C32	H2X
	C32	H2Y
	C32	C33
	C33	H3X
	C33	H3Y
	C33	C34
	C34	H4X
	C34	H4Y
	C34	C35
	C35	H5X
	C35	H5Y
	C35	C36
	C36	H6X
	C36	H6Y
	C36	C37
	C37	H7X
	C37	H7Y
	C37	C38
	C38	H8X
	C38	H8Y
	C38	C39
	C39	H9X
	C39	H9Y
	C39	C310
	C310	H10X
	C310	H10Y
	C310	C311
	C311	H11X
	C311	H11Y
	C311	C312
	C312	H12X
	C312	H12Y
	C312	C313
	C313	H13X
	C313	H13Y
	C313	C314
	C314	H14X
	C314	H14Y
	C314	C315
	C315	H15X
	C315	H15Y
	C315	C316
	C316	H16X
	C316	H16Y
	C316	H16Z
 [ impropers ]
	C21	O21	C22	O22
	C31	O31	C32	O32

[ POPE ]
 [ atoms ]
	N	NH3L	-0.30	0
	HN1	HCL	0.33	0
	HN2	HCL	0.33	0
	HN3	HCL	0.33	0
	C12	CTL2	0.13	0
	H12A	HAL2	0.09	0
	H12B	HAL2	0.09	0
	C11	CTL2	-0.08	1
	H11A	HAL2	0.09	1
	H11B	HAL2	0.09	1
	P	PL	1.50	1
	O13	O2L	-0.78	1
	O14	O2L	-0.78	1
	O11	OSL	-0.57	1
	O12	OSL	-0.57	1
	C1	CTL2	-0.08	1
	HA	HAL2	0.09	1
	HB	HAL2	0.09	1
	C2	CTL1	0.04	2
	HS	HAL1	0.09	2
	O21	OSL	-0.34	2
	C21	CL	0.63	2
	O22	OBL	-0.52	2
	C22	CTL2	-0.08	2
	H2R	HAL2	0.09	2
	H2S	HAL2	0.09	2
	C3	CTL2	-0.05	3
	HX	HAL2	0.09	3
	HY	HAL2	0.09	3
	O31	OSL	-0.34	3
	C31	CL	0.63	3
	O32	OBL	-0.52	3
	C32	CTL2	-0.08	3
	H2X	HAL2	0.09	3
	H2Y	HAL2	0.09	3
	C23	CTL2	-0.18	4
	H3R	HAL2	0.09	4
	H3S	HAL2	0.09	4
	C24	CTL2	-0.18	5
	H4R	HAL2	0.09	5
	H4S	HAL2	0.09	5
	C25	CTL2	-0.18	6
	H5R	HAL2	0.09	6
	H5S	HAL2	0.09	6
	C26	CTL2	-0.18	7
	H6R	HAL2	0.09	7
	H6S	HAL2	0.09	7
	C27	CTL2	-0.18	8
	H7R	HAL2	0.09	8
	H7S	HAL2	0.09	8
	C28	CTL2	-0.18	9
	H8R	HAL2	0.09	9
	H8S	HAL2	0.09	9
	C29	CEL1	-0.15	10
	H91	HEL1	0.15	10
	C210	CEL1	-0.15	11
	H101	HEL1	0.15	11
	C211	CTL2	-0.18	12
	H11R	HAL2	0.09	12
	H11S	HAL2	0.09	12
	C212	CTL2	-0.18	13
	H12R	HAL2	0.09	13
	H12S	HAL2	0.09	13
	C213	CTL2	-0.18	14
	H13R	HAL2	0.09	14
	H13S	HAL2	0.09	14
	C214	CTL2	-0.18	15
	H14R	HAL2	0.09	15
	H14S	HAL2	0.09	15
	C215	CTL2	-0.18	16
	H15R	HAL2	0.09	16
	H15S	HAL2	0.09	16
	C216	CTL2	-0.18	17
	H16R	HAL2	0.09	17
	H16S	HAL2	0.09	17
	C217	CTL2	-0.18	18
	H17R	HAL2	0.09	18
	H17S	HAL2	0.09	18
	C218	CTL3	-0.27	19
	H18R	HAL3	0.09	19
	H18S	HAL3	0.09	19
	H18T	HAL3	0.09	19
	C33	CTL2	-0.18	20
	H3X	HAL2	0.09	20
	H3Y	HAL2	0.09	20
	C34	CTL2	-0.18	21
	H4X	HAL2	0.09	21
	H4Y	HAL2	0.09	21
	C35	CTL2	-0.18	22
	H5X	HAL2	0.09	22
	H5Y	HAL2	0.09	22
	C36	CTL2	-0.18	23
	H6X	HAL2	0.09	23
	H6Y	HAL2	0.09	23
	C37	CTL2	-0.18	24
	H7X	HAL2	0.09	24
	H7Y	HAL2	0.09	24
	C38	CTL2	-0.18	25
	H8X	HAL2	0.09	25
	H8Y	HAL2	0.09	25
	C39	CTL2	-0.18	26
	H9X	HAL2	0.09	26
	H9Y	HAL2	0.09	26
	C310	CTL2	-0.18	27
	H10X	HAL2	0.09	27
	H10Y	HAL2	0.09	27
	C311	CTL2	-0.18	28
	H11X	HAL2	0.09	28
	H11Y	HAL2	0.09	28
	C312	CTL2	-0.18	29
	H12X	HAL2	0.09	29
	H12Y	HAL2	0.09	29
	C313	CTL2	-0.18	30
	H13X	HAL2	0.09	30
	H13Y	HAL2	0.09	30
	C314	CTL2	-0.18	31
	H14X	HAL2	0.09	31
	H14Y	HAL2	0.09	31
	C315	CTL2	-0.18	32
	H15X	HAL2	0.09	32
	H15Y	HAL2	0.09	32
	C316	CTL3	-0.27	33
	H16X	HAL3	0.09	33
	H16Y	HAL3	0.09	33
	H16Z	HAL3	0.09	33
 [ bonds ]
	N	HN1
	N	HN2
	N	HN3
	N	C12
	C12	H12A
	C12	H12B
	C12	C11
	C11	H11A
	C11	H11B
	C11	O12
	O12	P
	P	O11
	P	O13
	P	O14
	C1	HA
	C1	HB
	C1	C2
	C1	O11
	C2	HS
	C2	C3
	C2	O21
	C3	HX
	C3	HY
	C3	O31
	O21	C21
	C21	C22
	C21	O22
	C22	H2R
	C22	H2S
	C22	C23
	C23	H3R
	C23	H3S
	C23	C24
	C24	H4R
	C24	H4S
	C24	C25
	C25	H5R
	C25	H5S
	C25	C26
	C26	H6R
	C26	H6S
	C26	C27
	C27	H7R
	C27	H7S
	C27	C28
	C28	H8R
	C28	H8S
	C28	C29
	C29	H91
	C29	C210
	C210	H101
	C210	C211
	C211	H11R
	C211	H11S
	C211	C212
	C212	H12R
	C212	H12S
	C212	C213
	C213	H13R
	C213	H13S
	C213	C214
	C214	H14R
	C214	H14S
	C214	C215
	C215	H15R
	C215	H15S
	C215	C216
	C216	H16R
	C216	H16S
	C216	C217
	C217	H17R
	C217	H17S
	C217	C218
	C218	H18R
	C218	H18S
	C218	H18T
	O31	C31
	C31	C32
	C31	O32
	C32	H2X
	C32	H2Y
	C32	C33
	C33	H3X
	C33	H3Y
	C33	C34
	C34	H4X
	C34	H4Y
	C34	C35
	C35	H5X
	C35	H5Y
	C35	C36
	C36	H6X
	C36	H6Y
	C36	C37
	C37	H7X
	C37	H7Y
	C37	C38
	C38	H8X
	C38	H8Y
	C38	C39
	C39	H9X
	C39	H9Y
	C39	C310
	C310	H10X
	C310	H10Y
	C310	C311
	C311	H11X
	C311	H11Y
	C311	C312
	C312	H12X
	C312	H12Y
	C312	C313
	C313	H13X
	C313	H13Y
	C313	C314
	C314	H14X
	C314	H14Y
	C314	C315
	C315	H15X
	C315	H15Y
	C315	C316
	C316	H16X
	C316	H16Y
	C316	H16Z
 [ impropers ]
	C21	O21	C22	O22
	C31	O31	C32	O32

[ PALM ]
 [ atoms ]
	C1	CL	0.62	0
	O1	OCL	-0.76	0
	O2	OCL	-0.76	0
	C2	CTL2	-0.28	0
	H2A	HAL2	0.09	0
	H2B	HAL2	0.09	0
	C3	CTL2	-0.18	1
	H3A	HAL2	0.09	1
	H3B	HAL2	0.09	1
	C4	CTL2	-0.18	2
	H4A	HAL2	0.09	2
	H4B	HAL2	0.09	2
	C5	CTL2	-0.18	3
	H5A	HAL2	0.09	3
	H5B	HAL2	0.09	3
	C6	CTL2	-0.18	4
	H6A	HAL2	0.09	4
	H6B	HAL2	0.09	4
	C7	CTL2	-0.18	5
	H7A	HAL2	0.09	5
	H7B	HAL2	0.09	5
	C8	CTL2	-0.18	6
	H8A	HAL2	0.09	6
	H8B	HAL2	0.09	6
	C9	CTL2	-0.18	7
	H9A	HAL2	0.09	7
	H9B	HAL2	0.09	7
	C10	CTL2	-0.18	8
	H10A	HAL2	0.09	8
	H10B	HAL2	0.09	8
	C11	CTL2	-0.18	9
	H11A	HAL2	0.09	9
	H11B	HAL2	0.09	9
	C12	CTL2	-0.18	10
	H12A	HAL2	0.09	10
	H12B	HAL2	0.09	10
	C13	CTL2	-0.18	11
	H13A	HAL2	0.09	11
	H13B	HAL2	0.09	11
	C14	CTL2	-0.18	12
	H14A	HAL2	0.09	12
	H14B	HAL2	0.09	12
	C15	CTL2	-0.18	13
	H15A	HAL2	0.09	13
	H15B	HAL2	0.09	13
	C16	CTL3	-0.27	14
	H16A	HAL3	0.09	14
	H16B	HAL3	0.09	14
	H16C	HAL3	0.09	14
 [ bonds ]
	C1	O1
	C1	O2
	C1	C2
	C2	H2A
	C2	H2B
	C2	C3
	C3	H3A
	C3	H3B
	C3	C4
	C4	H4A
	C4	H4B
	C4	C5
	C5	H5A
	C5	H5B
	C5	C6
	C6	H6A
	C6	H6B
	C6	C7
	C7	H7A
	C7	H7B
	C7	C8
	C8	H8A
	C8	H8B
	C8	C9
	C9	H9A
	C9	H9B
	C9	C10
	C10	H10A
	C10	H10B
	C10	C11
	C11	H11A
	C11	H11B
	C11	C12
	C12	H12A
	C12	H12B
	C12	C13
	C13	H13A
	C13	H13B
	C13	C14
	C14	H14A
	C14	H14B
	C14	C15
	C15	H15A
	C15	H15B
	C15	C16
	C16	H16A
	C16	H16B
	C16	H16C
 [ impropers ]
	C1	O1	C2	O2

[ OLEO ]
 [ atoms ]
	C1	CL	0.62	0
	O1	OCL	-0.76	0
	O2	OCL	-0.76	0
	C2	CTL2	-0.28	0
	H2A	HAL2	0.09	0
	H2B	HAL2	0.09	0
	C3	CTL2	-0.18	1
	H3A	HAL2	0.09	1
	H3B	HAL2	0.09	1
	C4	CTL2	-0.18	2
	H4A	HAL2	0.09	2
	H4B	HAL2	0.09	2
	C5	CTL2	-0.18	3
	H5A	HAL2	0.09	3
	H5B	HAL2	0.09	3
	C6	CTL2	-0.18	4
	H6A	HAL2	0.09	4
	H6B	HAL2	0.09	4
	C7	CTL2	-0.18	5
	H7A	HAL2	0.09	5
	H7B	HAL2	0.09	5
	C8	CTL2	-0.18	6
	H8A	HAL2	0.09	6
	H8B	HAL2	0.09	6
	C9	CEL1	-0.15	7
	H9A	HEL1	0.15	7
	C10	CEL1	-0.15	8
	H10A	HEL1	0.15	8
	C11	CTL2	-0.18	9
	H11A	HAL2	0.09	9
	H11B	HAL2	0.09	9
	C12	CTL2	-0.18	10
	H12A	HAL2	0.09	10
	H12B	HAL2	0.09	10
	C13	CTL2	-0.18	11
	H13A	HAL2	0.09	11
	H13B	HAL2	0.09	11
	C14	CTL2	-0.18	12
	H14A	HAL2	0.09	12
	H14B	HAL2	0.09	12
	C15	CTL2	-0.18	13
	H15A	HAL2	0.09	13
	H15B	HAL2	0.09	13
	C16	CTL2	-0.18	14
	H16A	HAL2	0.09	14
	H16B	HAL2	0.09	14
	C17	CTL2	-0.18	15
	H17A	HAL2	0.09	15
	H17B	HAL2	0.09	15
	C18	CTL3	-0.27	16
	H18A	HAL3	0.09	16
	H18B	HAL3	0.09	16
	H18C	HAL3	0.09	16
 [ bonds ]
	C1	O1
	C1	C2
	C2	C3
	C2	H2A
	C2	H2B
	C3	C4
	C3	H3A
	C3	H3B
	C4	C5
	C4	H4A
	C4	H4B
	C5	C6
	C5	H5A
	C5	H5B
	C6	C7
	C6	H6A
	C6	H6B
	C7	C8
	C7	H7A
	C7	H7B
	C8	C9
	C8	H8A
	C8	H8B
	C9	C10
	C9	H9A
	C10	C11
	C10	H10A
	C11	C12
	C11	H11A
	C11	H11B
	C12	C13
	C12	H12A
	C12	H12B
	C13	C14
	C13	H13A
	C13	H13B
	C14	C15
	C14	H14A
	C14	H14B
	C15	C16
	C15	H15A
	C15	H15B
	C16	C17
	C16	H16A
	C16	H16B
	C17	C18
	C17	H17A
	C17	H17B
	C18	H18C
	C18	H18A
	C18	H18B

[ DHA ]
 [ atoms ]
	C1	CL	0.62	-1
	O1	OCL	-0.76	-1
	O2	OCL	-0.76	-1
	C2	CTL2	-0.28	-1
	H2A	HAL2	0.09	-1
	H2B	HAL2	0.09	-1
	C3	CTL2	-0.18	0
	H3A	HAL2	0.09	0
	H3B	HAL2	0.09	0
	C4	CEL1	-0.15	1
	H4	HEL1	0.15	1
	C5	CEL1	-0.15	2
	H5	HEL1	0.15	2
	C6	CTL2	-0.18	3
	H6A	HAL2	0.09	3
	H6B	HAL2	0.09	3
	C7	CEL1	-0.15	4
	H7	HEL1	0.15	4
	C8	CEL1	-0.15	5
	H8	HEL1	0.15	5
	C9	CTL2	-0.18	6
	H9A	HAL2	0.09	6
	H9B	HAL2	0.09	6
	C10	CEL1	-0.15	7
	H10	HEL1	0.15	7
	C11	CEL1	-0.15	8
	H11	HEL1	0.15	8
	C12	CTL2	-0.18	9
	H12A	HAL2	0.09	9
	H12B	HAL2	0.09	9
	C13	CEL1	-0.15	10
	H13	HEL1	0.15	10
	C14	CEL1	-0.15	11
	H14	HEL1	0.15	11
	C15	CTL2	-0.18	12
	H15A	HAL2	0.09	12
	H15B	HAL2	0.09	12
	C16	CEL1	-0.15	13
	H16	HEL1	0.15	13
	C17	CEL1	-0.15	14
	H17	HEL1	0.15	14
	C18	CTL2	-0.18	15
	H18A	HAL2	0.09	15
	H18B	HAL2	0.09	15
	C19	CEL1	-0.15	16
	H19	HEL1	0.15	16
	C20	CEL1	-0.15	17
	H20	HEL1	0.15	17
	C21	CTL2	-0.18	18
	H21A	HAL2	0.09	18
	H21B	HAL2	0.09	18
	C22	CTL3	-0.27	19
	H22A	HAL3	0.09	19
	H22B	HAL3	0.09	19
	H22C	HAL3	0.09	19
 [ bonds ]
	C1	O1
	C1	C2
	C2	C3
	C2	H2A
	C2	H2B
	C3	C4
	C3	H3A
	C3	H3B
	C4	C5
	C4	H4
	C5	C6
	C5	H5
	C6	C7
	C6	H6A
	C6	H6B
	C7	C8
	C7	H7
	C8	C9
	C8	H8
	C9	C10
	C9	H9A
	C9	H9B
	C10	C11
	C10	H10
	C11	C12
	C11	H11
	C12	C13
	C12	H12A
	C12	H12B
	C13	C14
	C13	H13
	C14	C15
	C14	H14
	C15	C16
	C15	H15A
	C15	H15B
	C16	C17
	C16	H16
	C17	C18
	C17	H17
	C18	C19
	C18	H18A
	C18	H18B
	C19	C20
	C19	H19
	C20	C21
	C20	H20
	C21	C22
	C21	H21A
	C21	H21B
	C22	H22C
	C22	H22A
	C22	H22B

[ STEA ]
 [ atoms ]
	C1	CL	0.62	-1
	O1	OCL	-0.76	-1
	O2	OCL	-0.76	-1
	C2	CTL2	-0.28	-1
	H2A	HAL2	0.09	-1
	H2B	HAL2	0.09	-1
	C3	CTL2	-0.18	0
	H3A	HAL2	0.09	0
	H3B	HAL2	0.09	0
	C4	CTL2	-0.18	1
	H4A	HAL2	0.09	1
	H4B	HAL2	0.09	1
	C5	CTL2	-0.18	2
	H5A	HAL2	0.09	2
	H5B	HAL2	0.09	2
	C6	CTL2	-0.18	3
	H6A	HAL2	0.09	3
	H6B	HAL2	0.09	3
	C7	CTL2	-0.18	4
	H7A	HAL2	0.09	4
	H7B	HAL2	0.09	4
	C8	CTL2	-0.18	5
	H8A	HAL2	0.09	5
	H8B	HAL2	0.09	5
	C9	CTL2	-0.18	6
	H9A	HAL2	0.09	6
	H9B	HAL2	0.09	6
	C10	CTL2	-0.18	7
	H10A	HAL2	0.09	7
	H10B	HAL2	0.09	7
	C11	CTL2	-0.18	8
	H11A	HAL2	0.09	8
	H11B	HAL2	0.09	8
	C12	CTL2	-0.18	9
	H12A	HAL2	0.09	9
	H12B	HAL2	0.09	9
	C13	CTL2	-0.18	10
	H13A	HAL2	0.09	10
	H13B	HAL2	0.09	10
	C14	CTL2	-0.18	11
	H14A	HAL2	0.09	11
	H14B	HAL2	0.09	11
	C15	CTL2	-0.18	12
	H15A	HAL2	0.09	12
	H15B	HAL2	0.09	12
	C16	CTL2	-0.18	13
	H16A	HAL2	0.09	13
	H16B	HAL2	0.09	13
	C17	CTL2	-0.18	14
	H17A	HAL2	0.09	14
	H17B	HAL2	0.09	14
	C18	CTL3	-0.27	15
	H18A	HAL3	0.09	15
	H18B	HAL3	0.09	15
	H18C	HAL3	0.09	15
 [ bonds ]
	C1	O1
	C1	C2
	C2	C3
	C2	H2A
	C2	H2B
	C3	C4
	C3	H3A
	C3	H3B
	C4	C5
	C4	H4A
	C4	H4B
	C5	C6
	C5	H5A
	C5	H5B
	C6	C7
	C6	H6A
	C6	H6B
	C7	C8
	C7	H7A
	C7	H7B
	C8	C9
	C8	H8A
	C8	H8B
	C9	C10
	C9	H9A
	C9	H9B
	C10	C11
	C10	H10A
	C10	H10B
	C11	C12
	C11	H11A
	C11	H11B
	C12	C13
	C12	H12A
	C12	H12B
	C13	C14
	C13	H13A
	C13	H13B
	C14	C15
	C14	H14A
	C14	H14B
	C15	C16
	C15	H15A
	C15	H15B
	C16	C17
	C16	H16A
	C16	H16B
	C17	C18
	C17	H17A
	C17	H17B
	C18	H18C
	C18	H18A
	C18	H18B

[ PCGL ]
 [ atoms ]
	N	NTL	-0.60	0
	C5	CTL2	-0.10	0
	C6	CTL5	-0.35	0
	C7	CTL5	-0.35	0
	C8	CTL5	-0.35	0
	H5A	HL	0.25	0
	H5B	HL	0.25	0
	H6A	HL	0.25	0
	H6B	HL	0.25	0
	H6C	HL	0.25	0
	H7A	HL	0.25	0
	H7B	HL	0.25	0
	H7C	HL	0.25	0
	H8A	HL	0.25	0
	H8B	HL	0.25	0
	H8C	HL	0.25	0
	C4	CTL2	-0.08	1
	H4A	HAL2	0.09	1
	H4B	HAL2	0.09	1
	P	PL	1.50	1
	OP3	O2L	-0.78	1
	OP4	O2L	-0.78	1
	OP1	OSL	-0.57	1
	OP2	OSL	-0.57	1
	C3	CTL2	-0.08	1
	H3A	HAL2	0.09	1
	H3B	HAL2	0.09	1
	C2	CTL1	0.14	2
	H2A	HAL1	0.09	2
	O2	OHL	-0.66	2
	H2	HOL	0.43	2
	C1	CTL2	0.05	3
	H1A	HAL2	0.09	3
	H1B	HAL2	0.09	3
	O1	OHL	-0.66	3
	H1	HOL	0.43	3
 [ bonds ]
	N	C5
	N	C6
	N	C7
	N	C8
	C5	C4
	C4	OP2
	OP2	P
	P	OP1
	P	OP3
	P	OP4
	OP1	C3
	C3	C2
	C2	C1
	C2	O2
	C1	O1
	O1	H1
	O2	H2
	C1	H1A
	C1	H1B
	C2	H2A
	C3	H3A
	C3	H3B
	C4	H4A
	C4	H4B
	C5	H5A
	C5	H5B
	C6	H6A
	C6	H6B
	C6	H6C
	C7	H7A
	C7	H7B
	C7	H7C
	C8	H8A
	C8	H8B
	C8	H8C