Example of a CHARMM Parameter File
* Example of a CHARMM parameter file
*
BOND
C C 420.0 1.505
C C5R 450.0 1.38
C C6R 386.0 1.444
C C6RP 386.0 1.500
C C6RE 386.0 1.444
C CR56 386.0 1.419
C CH1E 320.0 1.52
C CH2E 320.0 1.52
C CH3E 320.0 1.52
C CT 340.0 1.515
C CUA1 325.0 1.49
C CUA2 325.0 1.49
C N 420.0 1.281
C NX 420.0 1.33
C N5R 420.0 1.37
C N6R 420.0 1.38
C NC 400.0 1.33
C NT 400.0 1.416
C NP 390.0 1.335
C O 640.0 1.225
C OA 750.0 1.22
C OE 375.0 1.354
C OK 765.0 1.22
C OC 455.0 1.23
C OS 375.0 1.35
C OT 360.0 1.330
C PT 400.0 1.790
C XCL 185.0 1.79
C XF 326.0 1.340
C SK 300.0 1.68
C SE 300.0 1.71
C XBR 185.0 1.89
C XI 300.0 2.10
C MSI 300.0 1.93
C CUY1 325.0 1.430
CUY1 CUY1 1110.0 1.190
CUY1 CT 350.0 1.465
CUY2 CT 350.0 1.465
CUY1 CUA1 345.0 1.430
CUY2 CUA1 345.0 1.430
CUY1 N 1200.0 1.160
CUY2 N 1200.0 1.160
CUY2 C6R 355.0 1.434
CUY2 CUA2 345.0 1.430
CUY2 CUA1 345.0 1.430
CUY1 C6R 355.0 1.434
CUY1 OS 375.0 1.350
CUY1 OM 1115.0 1.190
CUY1 NP 400.0 1.300
C5R C5R 450.0 1.41
C5R C5RE 450.0 1.41
C5R CR55 450.0 1.41
C5R CR56 450.0 1.41
C5R CT 345.0 1.51
C5R CUA1 325.0 1.49
C5R CUA2 325.0 1.49
C5R NO2 414.0 1.46
C5R N5R 390.0 1.36
C5R NP 390.0 1.47
C5R NT 390.0 1.47
C5R OE 330.0 1.42
C5R OS 365.0 1.46
C5R OT 450.0 1.38
C5R XCL 232.0 1.71
C5R XF 380.0 1.33
C5R S5R 350.0 1.71
C5RE C5RE 450.0 1.41
C5RE N5R 390.0 1.36
C6R C6R 450.0 1.39
C6R C6RE 450.0 1.39
C6R CR56 450.0 1.39
C6R CR66 450.0 1.39
C6R CT 345.0 1.51
C6R CUA1 325.0 1.49
C6R CUA2 325.0 1.49
C6R N6R 390.0 1.36
C6R NO2 414.0 1.46
C6R NC 400.0 1.33
C6R NP 390.0 1.350
C6R NT 390.0 1.333
C6R N 390.0 1.432
C6R O 610.0 1.227
C6R OE 330.0 1.42
C6R OS 365.0 1.46
C6RE OS 365.0 1.46
C6R OT 450.0 1.38
C6R XCL 232.0 1.71
C6R PO3 350.0 1.800
C6R SO1 350.0 1.725
C6R SO2 350.0 1.770
C6R SO3 350.0 1.725
C6R SE 230.0 1.773
C6R ST 230.0 1.773
C6R XF 380.0 1.33
C6R XI 300.0 2.05
C6RE C6RE 450.0 1.39
C6RP C6RP 450.0 1.48
C6R C6RP 450.0 1.39
N6R C6RP 390.0 1.36
C6RE CR56 450.0 1.39
C6RE N6R 390.0 1.31
CH1E C5R 345.0 1.47
CH1E C6R 345.0 1.47
CH1E CH1E 240.0 1.53
CH1E CH2E 240.0 1.53
CH1E CH3E 240.0 1.53
CH1E CT 240.0 1.53
CH1E CUA1 300.0 1.51
CH1E CUA2 300.0 1.51
CH1E NO2 414.0 1.46
CH1E N5R 390.0 1.47
CH1E N6R 390.0 1.47
CH1E NX 390.0 1.46
CH1E NP 411.0 1.457
CH1E NT 390.0 1.47
CH1E OE 330.0 1.42
CH1E OS 365.0 1.46
CH1E OT 340.0 1.43
CH1E SE 237.0 1.80
CH1E SO1 199.0 1.81
CH1E SO2 226.0 1.78
CH1E SO3 226.0 1.78
CH1E SH1E 226.0 1.81
CH1E ST 226.0 1.81
CH1E XCL 180.0 1.77
CH1E XF 340.0 1.36
CH1E PT 326.0 1.820
CH2E C5R 345.0 1.47
CH2E C6R 345.0 1.47
CH2E CH2E 240.0 1.53
CH2E CH3E 240.0 1.53
CH2E CT 240.0 1.53
CH2E CUA1 300.0 1.51
CH2E CUA2 300.0 1.51
CH2E NO2 414.0 1.46
CH2E N5R 390.0 1.47
CH2E N6R 390.0 1.47
CH2E NX 390.0 1.46
CH2E NP 390.0 1.47
CH2E NT 390.0 1.47
CH2E OE 330.0 1.42
CH2E OS 365.0 1.46
CH2E OT 340.0 1.43
CH2E SE 237.0 1.80
CH2E SO1 199.0 1.81
CH2E SO2 226.0 1.78
CH2E SO3 226.0 1.78
CH2E SH1E 226.0 1.81
CH2E ST 226.0 1.81
CH2E XCL 180.0 1.77
CH2E XF 340.0 1.36
CH2E PT 326.0 1.820
CH3E C5R 345.0 1.47
CH3E C6R 345.0 1.47
CH3E CT 240.0 1.54
CH3E CUA1 300.0 1.51
CH3E CUA2 300.0 1.51
CH3E N5R 390.0 1.47
CH3E N6R 390.0 1.47
CH3E NP 411.0 1.46
CH3E NT 390.0 1.47
CH3E OE 330.0 1.42
CH3E OS 365.0 1.46
CH3E OT 340.0 1.43
CH3E SH1E 226.0 1.81
CH3E ST 226.0 1.81
CM OM 1115.0 1.128
CR55 C5RE 450.0 1.41
CR55 CR55 450.0 1.41
CR55 N5R 390.0 1.36
CR56 C5RE 450.0 1.41
CR56 CR56 450.0 1.41
CR56 N5R 390.0 1.36
CR56 N6R 390.0 1.36
CR56 S5R 350.0 1.71
CR66 C6RE 450.0 1.39
CR66 CR66 450.0 1.39
CR66 N6R 390.0 1.36
CT CT 268.0 1.515
CT CUA1 315.0 1.507
CT CUA2 315.0 1.507
CT NX 390.0 1.44
CT N5R 390.0 1.47
CT NO2 390.0 1.510
CT N6R 390.0 1.47
CT NP 375.0 1.440
CT N 279.0 1.46
CT NT 275.0 1.44
CT OE 380.0 1.42
CT OS 365.0 1.46
CT OT 320.0 1.43
CT PT 326.0 1.820
CT SE 237.0 1.80
CT SO1 199.0 1.81
CT SO2 226.0 1.785
CT SO3 226.0 1.77
CT SH1E 226.0 1.81
CT ST 217.0 1.81
CT XCL 232.0 1.783
CT XF 325.0 1.375
CT XBR 166.0 1.944
CT XI 150.0 2.16
CUA1 PT 215.0 1.436
CUA1 SO2 350.0 1.725
CUA1 SO3 350.0 1.725
CUA1 SE 230.0 1.773
CUA1 CUA1 520.0 1.325
CUA2 CUA2 520.0 1.325
CUA1 CUA2 345.0 1.463
CUA1 CUY2 350.0 1.430
CUA1 OT 360.0 1.365
CUA1 OE 360.0 1.365
CUA1 NP 390.0 1.47
CUA1 NX 390.0 1.47
CUA1 NT 390.0 1.47
CUA1 N5R 390.0 1.47
CUA1 XF 380.0 1.33
CUA1 XCL 232.0 1.71
CUA1 XBR 185.0 1.89
CUA1 XI 300.0 2.05
CUA2 MSI 300.0 1.89
CUA2 NP 390.0 1.47
CUA2 NT 390.0 1.47
CUA2 OE 360.0 1.365
CUA2 SO2 350.0 1.725
CUA2 SO3 350.0 1.725
CUA2 SE 230.0 1.773
MFE CM 258.0 1.79
MFE N5R 65.0 1.98
MFE OM 250.0 1.8
H H 0.0 1.6329931
H N5R 450.0 0.98
H N6R 450.0 0.98
H NP 465.6 1.000
H NT 400.0 1.02
H OH2 450.0 1.00
H OS 525.0 0.966
H OT 505.0 0.966
H OE 505.0 0.966
H OW 525.0 0.96
H ST 281.0 1.35
H SE 281.0 1.35
HA C 316.4 1.08
HA C5R 380.0 1.08
HA C6R 380.0 1.08
HA CT 340.0 1.090
HA CUA1 365.0 1.09
HA CUA2 365.0 1.09
HC NC 480.0 1.00
HC NT 480.0 1.04
HT HT 0.0 1.5139
HT OT 450.0 0.9572
HT OW 450.0 0.9572
LP OH2 450.0 0.80
OM OM 600.0 1.23
OS OS 450.0 1.465
SE XCL 300.0 2.07
SE XF 300.0 1.64
SE XBR 300.0 2.43
SE XI 300.0 2.63
ST ST 172.0 2.04
PT H 443.0 1.4
PT MSI 200.0 2.26
PT XCL 144.0 2.00
PT XF 200.0 1.58
PT XBR 125.0 2.37
PT XI 100.0 2.49
PT ST 200.0 2.09
PO4 O 575.0 1.47
PO4 OC 455.0 1.50
PO4 OT 237.0 1.52
PO4 OS 237.0 1.56
PO3 OS 237.0 1.55
PO3 OT 237.0 1.55
PO3 O 575.0 1.45
PO3 SK 250.0 1.920
SO1 O 513.0 1.490
SO2 NP 250.0 1.620
SO2 N 320.0 1.620
SO2 NT 300.0 1.74
SO2 O 660.0 1.44
SO3 NP 250.0 1.62
SO3 N 320.0 1.62
SO3 O 660.0 1.44
SO3 OC 260.0 1.570
SO4 O 660.0 1.44
SO3 OT 260.0 1.57
SO4 OT 260.0 1.57
SO4 OE 260.0 1.57
NO2 O 362.0 1.21
NO2 OE 350.0 1.230
N OT 350.0 1.396
N OE 350.0 1.396
N N 350.0 1.216
N SE 320.0 1.600
NP OS 350.0 1.435
NP OT 350.0 1.396
NP XI 300.0 2.04
NP XBR 300.0 1.84
NP XCL 300.0 1.74
NP XF 300.0 1.41
NP NO2 305.0 1.35
N NO2 305.0 1.35
N O 350.0 1.280
N OC 350.0 1.300
NP NT 350.0 1.425
NT NT 470.0 1.450
NT OE 300.0 1.485
NP N 350.0 1.216
NP NP 470.0 1.365
N5R OC 400.0 1.300
PT NX 300.0 1.570
PT NP 300.0 1.570
PT O 575.0 1.450
PT OC 455.0 1.580
PT OT 455.0 1.580
PT NT 300.0 1.653
PT C6R 300.0 1.795
PT PT 300.0 2.210
PT SE 300.0 1.950
MAL OS 265.0 1.770
MAL OT 265.0 1.770
MSI OS 390.0 1.64
MSI OE 390.0 1.586
MSI OT 390.0 1.64
MSI CT 295.0 1.874
MSI HA 500.0 1.475
MSI MSI 300.0 2.345
MSI SE 300.0 2.14
MSI NP 300.0 1.75
MSI N5R 300.0 1.74
MSI C5R 300.0 1.89
MSI C6R 300.0 1.89
MSI XBR 300.0 2.29
MSI XCL 300.0 2.07
MSI XF 300.0 1.59
MCU NP 69.0 1.89
MCU NT 69.0 1.98
MCU OE 144.0 1.96
MCU O 144.0 1.94
MCU XCL 120.0 2.24
MCU OW 144.0 2.52
THETAS ! angle bend terms
CUA1 CT OT 60.0 109.47
C CT CUA1 60.0 109.47
CUA1 CUA1 CUA1 60.0 120.0
CUA1 CUA2 CUA2 70.0 124.6
CUA2 CUA1 CUA1 70.0 124.6
C C CH1E 65.0 118.0
C C CH2E 65.0 118.0
C C CH3E 65.0 118.0
C C CT 65.0 118.0
C C NP 65.0 120.0
C C NT 65.0 109.0
C C N 65.0 120.0
C C OA 65.0 120.0
C C OK 65.0 120.0
C C O 55.0 119.0
C C OS 60.0 117.5
C C SE 60.0 120.0
CH1E C C5R 70.0 117.0
CH1E C C6R 70.0 117.0
CH1E C CH1E 65.0 117.0
CH1E C CH2E 65.0 117.0
CH1E C CH3E 65.0 117.0
CH1E C CT 65.0 117.0
CH1E C CUA1 70.0 117.5
CH1E C CUA2 70.0 117.5
CH1E C NX 58.0 117.5
CH1E C N5R 58.0 120.0
CH1E C N6R 58.0 120.0
CH1E C NC 58.0 120.0
CH1E C NP 67.0 115.2
CH1E C O 67.0 122.0
CH1E C OA 80.0 122.0
CH1E C OC 85.0 118.5
CH1E C OK 90.0 121.5
CH1E C OS 60.0 115.0
CH1E C OT 85.0 120.0
CH1E C XCL 59.0 118.0
CH2E C C5R 70.0 117.0
CH2E C C6R 70.0 117.0
CH2E C CH2E 65.0 117.0
CH2E C CH3E 65.0 117.0
CH2E C CT 65.0 117.0
CH2E C CUA1 70.0 117.5
CH2E C CUA2 70.0 117.5
CH2E C NX 58.0 117.5
CH2E C N5R 60.0 117.0
CH2E C N6R 60.0 117.0
CH2E C NC 58.0 120.0
CH2E C NP 67.0 115.2
CH2E C O 67.0 122.0
CH2E C OA 80.0 121.0
CH2E C OC 85.0 118.5
CH2E C OK 90.0 121.5
CH2E C OS 60.0 115.0
CH2E C OT 60.0 115.0
CH3E C C5R 70.0 117.0
CH3E C C6R 70.0 117.0
CH3E C CUA1 70.0 117.5
CH3E C CUA2 70.0 117.5
CH2E C XCL 59.0 118.0
CH3E C CT 65.0 117.0
CH3E C NX 58.0 117.5
CH3E C N5R 60.0 117.0
CH3E C N6R 60.0 117.0
CH3E C NC 58.0 120.0
CH3E C NP 67.0 114.30
CH3E C O 67.0 123.20
CH3E C OA 80.0 122.0
CH3E C OC 85.0 118.5
CH3E C OK 90.0 121.5
CH3E C OS 60.0 115.0
CH3E C OT 60.0 115.0
CH3E C XCL 59.0 118.0
CT C CT 65.0 116.0
CT C C6R 70.0 117.0
CT C C5R 70.0 117.0
CT C CUA1 70.0 117.5
CT C CUA2 70.0 117.5
CT C NX 63.0 115.2
CT C N5R 60.0 117.0
CT C N6R 60.0 117.0
CT C NC 58.0 120.0
CT C NP 61.0 112.3
CT C N 58.0 120.0
CT C O 66.0 122.7
CT C OA 80.0 124.0
CT C OC 85.0 118.5
CT C OK 90.0 122.0
CT C OS 60.0 115.0
CT C OT 60.0 114.5
CT C XCL 59.0 118.0
CT C XF 75.0 118.0
CT C XBR 45.0 118.0
CT C XI 40.0 118.0
CT C SK 67.0 123.20
CT C SE 67.0 123.2
C6R C O 86.0 125.3
C6R C OE 86.0 125.3
C6R C C6R 86.0 120.0
C6R C6R O 86.0 122.0
C6RE C O 86.0 125.3
C6RP C OC 86.0 118.5
CR56 C O 86.0 128.8
CUA1 C NX 55.0 119.0
CUA1 C N5R 55.0 119.0
CUA1 C N6R 55.0 119.0
CUA1 C NC 55.0 119.0
CUA1 C NP 55.0 119.0
CUA1 C NT 55.0 119.0
CUA1 C N 55.0 119.0
CUA1 C O 40.0 120.0
CUA1 C OA 40.0 120.0
CUA1 C OC 40.0 120.0
CUA1 C OK 40.0 120.0
CUA1 C OS 40.0 120.0
CUA1 C OT 40.0 120.0
CUA1 C CUA1 55.0 120.0
CUA2 C NX 55.0 119.0
CUA2 C N5R 55.0 119.0
CUA2 C N6R 55.0 119.0
CUA2 C NC 55.0 119.0
CUA2 C NP 55.0 119.0
CUA2 C O 40.0 120.0
CUA2 C OA 40.0 120.0
CUA2 C OC 40.0 120.0
CUA2 C OK 40.0 120.0
CUA2 C OS 40.0 120.0
C6RE C OS 40.0 120.0
HA C C 23.0 119.0
HA C C5R 45.0 117.0
HA C C6R 45.0 117.0
HA C CH1E 45.0 117.0
HA C CH2E 45.0 117.0
HA C CH3E 45.0 117.0
HA C CT 45.0 120.0
HA C CUA1 23.0 119.0
HA C CUA2 23.0 119.0
HA C NC 55.0 120.0
HA C NT 55.0 120.0
HA C NP 55.0 118.0
HA C N 55.0 124.0
HA C O 40.0 120.0
HA C OA 54.0 116.0
HA C OS 40.0 115.5
HA C SE 40.0 124.0
HA C HA 30.0 120.0
HA C XF 40.0 120.0
HA C XCL 40.0 120.0
HA C XBR 40.0 120.0
HA C XI 40.0 120.0
NX C O 95.0 123.9
NC C NC 70.0 120.0
NC C NP 70.0 120.0
NC C C6R 70.0 120.0
NP C NT 70.0 120.0
NP C NP 70.0 118.0
NP C O 96.0 125.0
NP C OA 84.0 122.0
NP C OS 95.0 115.5
NT C O 55.0 120.0
NT C CT 55.0 120.0
N5R C NT 70.0 120.0
N5R C HA 55.0 120.0
N6R C O 70.0 121.0
N6R C6R O 70.0 122.0
N6R C N6R 62.0 117.0
N6R C C6R 62.0 114.1
N6R C C6RE 62.0 114.1
N6R C CR56 62.0 111.3
N C OE 50.0 117.0
N C O 70.0 120.0
N C SK 50.0 180.0
N C SE 50.0 114.0
N C NP 50.0 108.0
N C NX 50.0 108.0
N C NT 50.0 126.0
N C XBR 50.0 126.0
NP C XBR 50.0 126.0
NP C SK 50.0 123.9
O C OS 81.0 123.0
O C OT 60.0 123.5
O C XCL 121.0 116.5
O C CUY1 70.0 120.0
OS C OS 81.0 123.5
OA C OS 81.0 123.5
OA C OT 85.0 120.0
OA C XCL 121.0 116.5
OC C OC 85.0 123.0
XF C PT 49.0 120.0
XF C XF 50.0 120.0
XF CT PT 50.0 109.47
CT CUY1 CUY1 30.0 180.0
C CUY1 CUY1 30.0 180.0
CUA1 CUY1 CUY1 42.0 180.0
NP CUY1 OM 50.0 180.0
C5R C5R CR55 70.0 108.0
C5R C5R CR56 70.0 107.0
CT C5R C5R 70.0 126.0
C5R C5R CUA1 90.0 126.0
C5R C5R CUA2 90.0 126.0
C5R C5R N5R 65.0 112.0
C5R C5R OE 65.0 126.0
C5R C5R OK 65.0 126.0
C5R C5R OS 80.0 126.0
C5R C5R OT 65.0 126.0
C5R C5R O5R 95.0 111.0
C5R C5R C 70.0 128.0
C5R C5R S5R 95.0 113.0
C5R C5R XCL 65.0 126.0
C5R C5R XF 65.0 126.0
C5R C5R XBR 65.0 126.0
C5R C5R XI 65.0 126.0
C5RE C5R C5RE 65.0 108.0
C5RE C5R CR55 65.0 108.0
C5RE C5R CR56 65.0 107.0
CT C5R C5RE 70.0 126.0
C5RE C5R CUA1 90.0 126.0
C5RE C5R CUA2 90.0 126.0
C5RE C5R N5R 65.0 112.0
C5RE C5R OE 65.0 126.0
C5RE C5R OK 65.0 126.0
C5RE C5R OS 80.0 126.0
C5RE C5R OT 65.0 126.0
C5RE C5R XCL 65.0 126.0
C5RE C5R XF 65.0 126.0
CH1E C5R C5R 65.0 126.0
CH1E C5R C5RE 65.0 126.0
CH1E C5R CR55 65.0 127.0
CH1E C5R CR56 65.0 127.0
CH1E C5R N5R 60.0 122.0
CH1E C5R O5R 60.0 123.0
CH1E C5R S5R 60.0 121.0
CH2E C5R C5R 65.0 126.0
CH2E C5R C5RE 65.0 126.0
CH2E C5R CR55 65.0 127.0
CH2E C5R CR56 65.0 127.0
CH2E C5R N5R 60.0 122.0
CH2E C5R O5R 60.0 123.0
CH2E C5R S5R 60.0 121.0
CH3E C5R C5R 65.0 126.0
CH3E C5R C5RE 65.0 126.0
CH3E C5R CR55 65.0 127.0
CH3E C5R CR56 65.0 127.0
CH3E C5R N5R 60.0 122.0
CH3E C5R O5R 60.0 123.0
CH3E C5R S5R 60.0 121.0
CT C5R CR55 70.0 127.0
CR55 C5R CUA1 90.0 127.0
CR55 C5R CUA2 90.0 127.0
CR55 C5R N5R 65.0 112.0
CR55 C5R O5R 95.0 110.0
CR55 C5R OE 60.0 127.0
CR55 C5R OK 65.0 127.0
CR55 C5R OS 60.0 127.0
CR55 C5R OT 65.0 127.0
CR55 C5R S5R 95.0 114.0
CR55 C5R XCL 65.0 127.0
CR55 C5R XF 65.0 127.0
CR55 C5R XBR 65.0 127.0
CR55 C5R XI 65.0 127.0
CT C5R CR56 70.0 127.0
CR56 C5R CUA1 90.0 127.0
CR56 C5R CUA2 90.0 127.0
CR56 C5R N5R 65.0 112.0
CR56 C5R O5R 95.0 110.0
CR56 C5R OE 60.0 127.0
CR56 C5R OK 65.0 127.0
CR56 C5R OS 60.0 127.0
CR56 C5R OT 65.0 127.0
CR56 C5R S5R 95.0 114.0
CR56 CR56 S5R 95.0 114.0
CR56 C5R XCL 65.0 127.0
CR56 C5R XF 65.0 127.0
CR56 C5R XBR 65.0 127.0
CR56 C5R XI 65.0 127.0
CT C5R N5R 58.0 122.0
CT C5R O5R 60.0 123.0
CT C5R S5R 60.0 121.0
N5R C5R N5R 70.0 104.0
N5R C5R O5R 100.0 112.0
N5R C5R S5R 100.0 112.0
N5R C5R CUA2 90.0 127.0
C5R C5RE C5R 65.0 108.0
C5R C5RE C5RE 65.0 108.0
C5R C5RE N5R 65.0 112.0
C5RE C5RE C5RE 65.0 108.0
C5RE C5RE N5R 65.0 112.0
CR55 C5RE C5R 65.0 107.0
CR55 C5RE C5RE 65.0 107.0
CR55 C5RE N5R 65.0 112.0
CR56 C5RE C5R 65.0 107.0
CR56 C5RE C5RE 65.0 107.0
CR56 C5RE N5R 65.0 107.0
N5R C5RE N5R 65.0 104.0
C C6R C6RE 70.0 120.0
C C6R C6RP 70.0 120.0
C C6R CH3E 70.0 120.0
C C6R CT 70.0 120.0
C C6R NP 70.0 120.0
C6R C6R C6R 70.0 120.0
C6R C6R C6RE 70.0 120.0
C6R C6R CR56 70.0 120.0
C6R C6R CR66 70.0 120.0
C6R C6R CT 70.0 120.0
C6R C6R C 70.0 120.0
C6R C6R CUA1 90.0 120.0
C6R C6R CUA2 90.0 120.0
C6R C6R CUY2 90.0 118.0
C6R C6R N6R 65.0 120.0
C6R C6R NP 65.0 120.0
C6R C6R NT 65.0 120.0
C6R C6R N 65.0 118.0
C6R C6R NO2 75.0 118.0
N6R C6R NP 70.0 119.8
C6R C6R OE 65.0 120.0
C6R C6R OK 65.0 120.0
C6R C6R OS 80.0 120.0
C6R C6R OT 65.0 120.0
C6R C6R PO3 65.0 120.0
C6R C6R SO1 65.0 120.0
C6R C6R SO2 65.0 118.0
C6R C6R SO3 65.0 120.0
C6R C6R SE 65.0 120.0
C6R C6R ST 65.0 120.0
C6R C6R XCL 65.0 120.0
C6R C6R XF 65.0 120.0
C6R C6R XI 70.0 120.0
C6R C6R XBR 65.0 120.0
C6R C6R MSI 65.0 120.0
N6R C6R XF 65.0 120.0
N6R C6R XCL 65.0 120.0
N6R C6R XBR 65.0 120.0
N6R C6R XI 65.0 120.0
C6R C CUA1 70.0 117.5
C6R C CUA2 70.0 117.5
C6R C OA 80.0 121.0
C6R C OC 85.0 118.5
C6R C OK 90.0 121.5
C6R C OS 60.0 115.0
C6R C OT 60.0 115.0
C6R C NP 70.0 117.5
C6R C N 70.0 117.5
C6RE C6R C6RE 65.0 120.0
C6RE C6R CR56 65.0 120.0
C6RE C6R CR66 65.0 120.0
C6RE C6R NT 65.0 120.0
C6RE C6R NP 65.0 120.0
CT C6R C6RE 70.0 120.0
C6RE C6R CUA1 90.0 120.0
C6RE C6R CUA2 90.0 120.0
C6RE C6R N6R 65.0 108.5
C6RE C6R OE 60.0 120.0
C6RE C6R OK 65.0 120.0
C6RE C6R OS 60.0 120.0
C6RE C6R OT 65.0 120.0
C6RE C6R XCL 65.0 120.0
C6RE C6R XF 65.0 120.0
C6RE C6R XBR 65.0 120.0
C6RE C6R XI 65.0 120.0
CH1E C6R C6R 65.0 120.0
CH1E C6R C6RE 65.0 120.0
CH1E C6R CR56 65.0 120.0
CH1E C6R CR66 65.0 120.0
CH1E C6R N6R 60.0 120.0
CH2E C6R C6R 65.0 120.0
CH2E C6R C6RE 65.0 120.0
CH2E C6R CR56 65.0 120.0
CH2E C6R CR66 65.0 120.0
CH2E C6R N6R 60.0 120.0
CH3E C6R C6R 65.0 120.0
CH3E C6R C6RE 65.0 120.0
CH3E C6R CR56 65.0 120.0
CH3E C6R CR66 65.0 120.0
CH3E C6R N6R 60.0 120.0
CR56 C6R CT 70.0 120.0
CR56 C6R CUA1 90.0 120.0
CR56 C6R CUA2 90.0 120.0
CR56 C6R N6R 65.0 120.0
CR56 C6R NP 70.0 123.5
CR56 C6R OE 60.0 120.0
CR56 C6R OK 65.0 120.0
CR56 C6R OS 60.0 120.0
CR56 C6R OT 65.0 120.0
CR56 C6R XCL 65.0 120.0
CR56 C6R XF 65.0 120.0
CR56 C6R XBR 65.0 120.0
CR56 C6R XI 65.0 120.0
CR66 C6R CT 70.0 120.0
CR66 C6R CR66 90.0 120.0
CR66 C6R C6RP 90.0 120.0
CR66 C6R CUA1 90.0 120.0
CR66 C6R CUA2 90.0 120.0
CR66 C6R N6R 65.0 120.0
CR66 C6R NP 65.0 120.0
CR66 C6R OE 60.0 120.0
CR66 C6R OK 65.0 120.0
CR66 C6R OS 60.0 120.0
CR66 C6R OT 65.0 120.0
CR66 C6R XCL 65.0 120.0
CR66 C6R XF 65.0 120.0
CR66 C6R XBR 65.0 120.0
CR66 C6R XI 65.0 120.0
CR66 C6R SO2 60.0 120.0
CR66 C6R SO3 60.0 120.0
CT C6R N6R 58.0 120.0
N6R C6R N6R 70.0 116.0
C6R C6RE C6R 65.0 120.0
C6R C6RE OS 65.0 120.0
C6R C6RE C6RE 65.0 120.0
C6R C6RE N6R 65.0 120.0
C6RE C6RE C6RE 65.0 120.0
C6RP C6RP C6RP 70.0 120.0
C6RP C6R HA 31.0 120.0
C6RP C6R C6R 70.0 120.0
C6RP C6R NP 70.0 120.0
C6RP C6R N6R 70.0 120.0
C6R C6RP C6RP 70.0 120.0
C6R C6RP C6R 70.0 120.0
C6R C6RP C 70.0 120.0
C6R C6RP N6R 70.0 120.0
C6R N6R C6RP 70.0 120.0
N6R C6RP C6RP 70.0 120.0
C6RP C6RP C 70.0 120.0
C6RE C6RE C 65.0 120.0
C6RE C6RE N6R 65.0 120.0
CR56 C6RE C6R 65.0 120.0
CR56 C6RE C6RE 65.0 120.0
CR56 C6RE N6R 65.0 120.0
CR66 C6RE C6R 65.0 120.0
CR66 C6RE C6RE 65.0 120.0
CR66 C6RE N6R 65.0 120.0
N6R C6RE N6R 65.0 120.0
C CH1E C 70.0 113.0
C CH1E C5R 70.0 109.47
C CH1E C6R 70.0 109.47
C CH1E CH1E 70.0 109.47
C CH1E CH2E 70.0 109.47
C CH1E CH3E 70.0 106.5
C CH1E CT 71.0 110.8
C CH1E NX 70.0 111.6
C CH1E NP 75.0 111.9
C CH1E NT 70.0 111.6
C CH1E OE 80.0 109.47
C CH1E OS 80.0 109.47
C CH1E OT 80.0 109.47
C CH1E XCL 103.0 109.47
C CH1E XF 60.0 109.47
C5R C CUA1 70.0 117.5
C5R C CUA2 70.0 117.5
C5R C O 85.0 121.5
C5R C OA 80.0 121.0
C5R C OC 85.0 118.5
C5R C OK 90.0 121.5
C5R C OS 60.0 115.0
C5R C OT 60.0 115.0
C5R C NP 70.0 117.5
C5R CH1E C5R 70.0 109.47
C5R CH1E CT 70.0 113.0
C5R CH1E NX 70.0 111.6
C5R CH1E NP 70.0 111.6
C5R CH1E NT 70.0 111.6
C5R CH1E OE 80.0 109.47
C5R CH1E OS 80.0 109.47
C5R CH1E OT 80.0 109.47
C5R CH1E XCL 103.0 109.47
C5R CH1E XF 60.0 109.47
C5R CH1E C6R 70.0 109.47
C6R CH1E C6R 70.0 109.47
C6R CH1E CT 70.0 113.0
C6R CH1E NX 70.0 111.6
C6R CH1E NP 70.0 111.6
C6R CH1E NT 70.0 111.6
C6R CH1E OE 80.0 109.47
C6R CH1E OS 80.0 109.47
C6R CH1E OT 80.0 109.47
C6R CH1E XCL 103.0 109.47
C6R CH1E XF 60.0 109.47
CH1E CH1E C5R 70.0 109.47
CH1E CH1E C6R 70.0 109.47
CH1E CH1E CH1E 45.0 112.5
CH1E CH1E CH2E 45.0 112.5
CH1E CH1E CH3E 45.0 112.5
CH1E CH1E CT 45.0 112.5
CH1E CH1E NX 65.0 104.0
CH1E CH1E NP 65.0 109.47
CH1E CH1E NT 65.0 107.47
CH1E CH1E OE 80.0 109.47
CH1E CH1E OS 80.0 109.47
CH1E CH1E OT 80.0 109.47
CH1E CH1E SH1E 50.0 112.5
CH1E CH1E ST 50.0 112.5
CH1E CH1E XCL 96.0 109.47
CH1E CH1E XF 60.0 109.47
CH2E CH1E C5R 70.0 109.47
CH2E CH1E C6R 70.0 109.47
CH2E CH1E CH2E 50.0 112.5
CH2E CH1E CH3E 50.0 112.5
CH2E CH1E CT 50.0 112.5
CH2E CH1E NX 65.0 104.0
CH2E CH1E NP 65.0 109.47
CH2E CH1E NT 65.0 109.47
CH2E CH1E N5R 46.5 111.0
CH1E CH1E N5R 46.5 111.0
CH2E CH1E N6R 46.5 111.0
CH1E CH1E N6R 46.5 111.0
CH2E CH1E OE 80.0 109.47
CH2E CH1E OS 80.0 109.47
CH2E CH1E OT 80.0 109.47
CH2E CH1E XCL 96.0 109.47
CH2E CH1E XF 60.0 109.47
CH2E CH1E SH1E 50.0 112.5
CH2E CH1E ST 50.0 112.5
CH2E CH1E PT 50.0 109.47
CH3E CH1E C5R 70.0 109.47
CH3E CH1E C6R 70.0 109.47
CH3E CH1E CH3E 50.0 112.5
CH3E CH1E CT 71.0 112.10
CH3E CH1E NX 65.0 109.47
CH3E CH1E NP 67.0 110.60
CH3E CH1E NT 65.0 109.47
CH3E CH1E OE 80.0 109.47
CH3E CH1E OS 80.0 109.47
CH3E CH1E OT 80.0 110.47
CH3E CH1E SH1E 50.0 112.5
CH3E CH1E ST 50.0 112.5
CH3E CH1E XCL 96.0 109.47
CH3E CH1E XF 60.0 109.47
CH3E CH1E PT 65.0 109.47
CT CH1E CT 71.0 112.10
CT CH1E NX 65.0 109.47
CT CH1E NP 67.0 110.60
CT CH1E NT 65.0 109.47
CT CH1E OE 80.0 109.47
CT CH1E OS 80.0 109.47
CT CH1E OT 80.0 109.47
CT CH1E SH1E 50.0 112.5
CT CH1E ST 50.0 112.5
CT CH1E XCL 96.0 109.47
CT CH1E XF 60.0 109.47
CUA1 CH1E C6R 70.0 109.47
OE CH1E OE 80.0 109.47
OE CH1E OT 80.0 109.47
NP CH1E PT 80.0 109.47
C CH2E C 70.0 113.0
C CH2E C5R 70.0 109.47
C CH2E C6R 70.0 109.47
C CH2E CH1E 70.0 109.47
C CH2E CH2E 70.0 109.47
C CH2E CH3E 70.0 106.5
C CH2E CT 70.0 109.47
C CH2E NX 70.0 111.6
C CH2E NP 70.0 111.6
C CH2E NT 70.0 111.6
C CH2E OE 80.0 109.47
C CH2E OS 80.0 109.47
C CH2E OT 80.0 109.47
C CH2E XCL 103.0 109.47
C CH2E XF 60.0 109.47
C5R CH2E C5R 70.0 109.47
C5R CH2E C6R 70.0 109.47
C5R CH2E CT 70.0 113.0
C5R CH2E NX 70.0 111.6
C5R CH2E NP 70.0 111.6
C5R CH2E NT 70.0 111.6
C5R CH2E OE 80.0 109.47
C5R CH2E OS 80.0 109.47
C5R CH2E OT 80.0 109.47
C5R CH2E XCL 103.0 109.47
C5R CH2E XF 60.0 109.47
C6R CH2E C6R 70.0 109.47
C6R CH2E CT 70.0 113.0
C6R CH2E NX 70.0 111.6
C6R CH2E NP 70.0 111.6
C6R CH2E NT 70.0 111.6
C6R CH2E OE 80.0 109.47
C6R CH2E OS 80.0 109.47
C6R CH2E OT 80.0 109.47
C6R CH2E XCL 103.0 109.47
C6R CH2E XF 60.0 109.47
CH1E CH2E C5R 70.0 109.47
CH1E CH2E C6R 70.0 109.47
CH1E CH2E CH1E 45.0 112.5
CH1E CH2E CH2E 45.0 112.5
CH1E CH2E CH3E 45.0 112.5
CH1E CH2E CT 71.0 112.40
CH1E CH2E NX 65.0 104.0
CH1E CH2E NP 67.0 110.60
CH1E CH2E NT 65.0 109.47
CH1E CH2E OE 80.0 109.47
CH1E CH2E OS 80.0 109.47
CH1E CH2E OT 80.0 109.47
CH1E CH2E SH1E 50.0 112.5
CH1E CH2E ST 50.0 112.5
CH1E CH2E XCL 96.0 109.47
CH1E CH2E XF 60.0 109.47
CH1E CH2E PT 65.0 109.47
CH2E CH2E C5R 70.0 109.47
CH2E CH2E C6R 70.0 109.47
CH2E CH2E CUA1 70.0 109.47
CH2E CH2E CH2E 50.0 112.5
CH2E CH2E CH3E 50.0 112.5
CH2E CH2E CT 50.0 112.5
CH2E CH2E NX 65.0 104.0
CH2E CH2E NP 71.0 110.60
CH2E CH2E NT 65.0 109.47
CH2E CH2E OE 80.0 109.47
CH2E CH2E OS 80.0 109.47
CH2E CH2E OT 80.0 109.47
CH2E CH2E SH1E 50.0 112.5
CH2E CH2E ST 50.0 112.5
CH2E CH2E XCL 96.0 109.47
CH2E CH2E XF 60.0 109.47
CH2E CH2E PT 65.0 109.47
CH3E CH2E C5R 70.0 109.47
CH3E CH2E C6R 70.0 109.47
CH3E CH2E CH3E 50.0 112.5
CH3E CH2E CT 50.0 112.5
CH3E CH2E NX 65.0 109.47
CH3E CH2E NP 71.0 110.60
CH3E CH2E NT 65.0 109.47
CH3E CH2E OE 80.0 109.47
CH3E CH2E OS 80.0 109.47
CH3E CH2E OT 80.0 109.47
CH3E CH2E SH1E 50.0 112.5
CH3E CH2E ST 50.0 112.5
CH3E CH2E XCL 96.0 109.47
CH3E CH2E XF 60.0 109.47
CH3E CH2E PT 65.0 109.47
CT CH2E CT 74.0 112.40
CT CH2E NX 65.0 109.47
NT CH2E NT 65.0 109.47
CT CH2E NP 67.0 110.60
CT CH2E NT 65.0 109.47
CT CH2E OE 80.0 109.47
CT CH2E OS 80.0 109.47
CT CH2E OT 80.0 109.47
CT CH2E SH1E 50.0 112.5
CT CH2E ST 50.0 112.5
CT CH2E XCL 96.0 109.47
CT CH2E XF 60.0 109.47
OE CH2E OE 80.0 109.47
OE CH2E OT 80.0 109.47
MFE CM OM 5.0 90.0
C5R CR55 C5R 70.0 144.0
C5R CR55 CR55 70.0 108.0
C5R CR55 N5R 70.0 144.0
C5RE CR55 C5RE 70.0 144.0
C5RE CR55 CR55 70.0 108.0
C5RE CR55 N5R 70.0 144.0
CR55 CR55 N5R 70.0 108.0
N5R CR55 N5R 70.0 144.0
C CR56 CR56 116.0 119.2
C CR56 N5R 116.0 130.0
C5R CR56 C6R 70.0 133.0
C5R CR56 C6RE 70.0 133.0
C5R CR56 CR56 70.0 107.0
CR56 CR56 CR56 70.0 108.0
C5R CR56 N6R 70.0 130.0
C5RE CR56 C6R 70.0 133.0
C5RE CR56 C6RE 70.0 133.0
CR56 CR56 C6R 70.0 120.0
CR56 CR56 N6R 70.0 127.5
C5RE CR56 CR56 70.0 107.0
C5RE CR56 N6R 70.0 130.0
C6R CR56 N5R 70.0 133.0
C6R CR56 S5R 70.0 133.0
C6RE CR56 CR56 70.0 120.0
C6RE CR56 N5R 70.0 133.0
CR56 CR56 N5R 70.0 107.0
N5R CR56 N6R 70.0 133.0
C6R CR66 C6R 70.0 120.0
C6R CR66 CR66 70.0 120.0
C6R CR66 N6R 70.0 120.0
C6RE CR66 C6RE 70.0 120.0
C6RE CR66 CR66 65.0 120.0
C6RE CR66 N6R 70.0 120.0
CR66 CR66 N6R 70.0 120.0
N6R CR66 N6R 70.0 120.0
C CT C 70.0 113.0
C CT C5R 70.0 109.47
C CT C6R 70.0 109.47
C CT CH1E 70.0 109.47
C CT CH2E 70.0 109.47
C CT CH3E 70.0 106.5
C CT CT 52.0 109.60
C CT NX 70.0 111.6
C CT NP 58.0 112.6
C CT NT 70.0 111.6
C CT N 70.0 111.6
C CT OE 80.0 109.47
C CT OS 80.0 109.47
C CT OT 80.0 109.47
C CT XCL 103.0 109.47
C CT XF 60.0 109.47
C CT XBR 50.0 109.47
C CT XI 50.0 109.47
C5R CT C5R 70.0 109.47
C5R CT C6R 70.0 109.47
C5R CT CT 70.0 109.47
C5R CT NX 70.0 111.6
C5R CT NP 70.0 111.6
C5R CT NT 70.0 111.6
C5R CT OE 80.0 109.47
C5R CT OS 80.0 109.47
C5R CT OT 80.0 109.47
C5R CT XCL 103.0 109.47
C5R CT XF 60.0 109.47
C5R CT XBR 50.0 109.47
C5R CT XI 50.0 109.47
C6R CT C6R 70.0 109.47
C6R CT CT 70.0 113.0
C6R CT CUA1 70.0 113.0
C6R CT CUY2 70.0 113.0
C6R CT CUY1 70.0 113.0
C6R CT NX 70.0 111.6
C6R CT NP 70.0 111.6
C6R CT NT 70.0 111.6
C6R CT OE 80.0 109.47
C6R CT OS 80.0 109.47
C6R CT OT 80.0 109.47
C6R CT SE 50.0 109.47
C6R CT ST 50.0 109.47
C6R CT XCL 103.0 109.47
C6R CT XF 60.0 109.47
C6R CT XBR 50.0 109.47
C6R CT XI 50.0 109.47
CH1E CT C5R 70.0 109.47
CH1E CT C6R 70.0 109.47
CH1E CT CH1E 45.0 112.5
CH1E CT CH2E 45.0 112.5
CH1E CT CH3E 45.0 112.5
CH1E CT CT 71.0 112.40
CH1E CT NX 65.0 104.0
CH1E CT NP 71.0 110.60
CH1E CT NT 65.0 109.47
CH1E CT OE 80.0 109.47
CH1E CT OS 80.0 109.47
CH1E CT OT 80.0 109.47
CH1E CT XCL 96.0 109.47
CH1E CT XF 60.0 109.47
CH2E CT C5R 70.0 109.47
CH2E CT C6R 70.0 109.47
CH2E CT CH2E 50.0 112.5
CH2E CT CH3E 50.0 112.5
CH2E CT CT 50.0 112.5
CH2E CT NX 65.0 104.0
CH2E CT NP 71.0 110.60
CH2E CT NT 65.0 109.47
CH2E CT OE 80.0 109.47
CH2E CT OS 80.0 109.47
CH2E CT OT 80.0 109.47
CH2E CT XCL 98.0 109.47
CH2E CT XF 60.0 109.47
CH3E CT C5R 70.0 109.47
CH3E CT C6R 70.0 109.47
CH3E CT CH3E 50.0 112.5
CH3E CT CT 74.0 112.40
CH3E CT NX 65.0 109.47
CH3E CT NP 71.0 110.60
CH3E CT NT 65.0 109.47
CH3E CT OE 80.0 109.47
CH3E CT OS 80.0 109.47
CH3E CT OT 80.0 109.47
CH3E CT XCL 96.0 109.47
CH3E CT XF 60.0 109.47
CT CT CT 26.0 108.95
CT CT CUA2 74.0 109.47
CT CT CUA1 74.0 109.47
CT CT NX 65.0 109.0
CT CT NP 75.0 110.60
CT CT NT 65.0 109.47
CT CT N 65.0 109.47
CT CT NO2 47.0 108.60
CT CT N5R 46.5 111.0
CT CT N6R 46.5 111.0
CT CT OE 80.0 109.47
CT CT OS 80.0 109.47
CT CT OT 60.0 110.50
CT CT ST 50.0 112.5
CT CT SE 50.0 112.5
CT CT SO1 50.0 110.5
CT CT SO2 53.0 110.5
CT CT SO3 50.0 110.5
CT CT XCL 40.0 109.47
CT CT XF 47.0 109.47
CT CT XBR 44.0 108.47
CT CT XI 45.0 109.47
CT CT PT 50.0 109.47
CT CT MSI 45.0 109.47
OE CT OS 60.0 109.47
CUA1 CT OE 50.0 109.47
CUA1 CT OS 50.0 109.47
CUA1 CT ST 50.0 109.47
CUA1 CT SE 50.0 109.47
CUA1 CT XF 62.0 111.0
CUA2 CT ST 50.0 109.47
CUA1 CT CUA2 50.0 108.0
CUA1 CT CUA1 50.0 108.0
CUY1 CT OT 80.0 109.47
CUY2 CT OS 80.0 109.47
CUY1 CT OS 80.0 109.47
CUY1 CT CUA1 50.0 108.0
CUY1 CT CT 50.0 109.47
CUA1 CT NT 65.0 109.47
HA CT C 43.0 109.47
HA CT C5R 40.0 109.47
HA CT C6R 40.0 109.47
HA CT CT 43.0 109.47
HA CT CUA1 35.0 110.00
HA CT CUA2 35.0 110.00
HA CT CUY1 40.0 109.47
HA CT CUY2 40.0 109.47
HA CT HA 36.0 109.80
HA CT NX 50.0 109.47
HA CT NP 50.0 109.20
HA CT NT 60.0 109.47
HA CT N 50.0 109.47
HA CT N5R 50.0 109.47
HA CT N6R 50.0 109.47
HA CT OE 45.5 109.47
HA CT OS 44.0 109.47
HA CT OT 25.0 106.30
HA CT ST 50.0 109.47
HA CT XCL 38.0 107.47
HA CT XF 49.0 109.47
HA CT XBR 35.0 107.47
HA CT XI 35.0 107.47
HA CT PT 44.0 109.47
HA CT SO1 37.0 109.47
HA CT SO2 40.0 109.47
HA CT SO3 40.0 109.47
HA CT SE 43.0 109.47
HA CT NO2 57.0 109.47
NP CT NP 60.0 109.47
NO2 CT NO2 60.0 103.00
OE CT OE 80.0 112.00
OE CT NX 80.0 109.47
OE CT NP 80.0 109.47
OT CT NP 80.0 109.47
OT CT NX 80.0 109.47
OE CT OT 80.0 109.47
OE CT XF 115.0 109.47
OE CT XCL 96.0 109.47
OE CT XBR 50.0 109.47
OE CT XI 50.0 109.47
OE CT N6R 46.5 107.0
OE CT N5R 46.5 107.0
OE CT NT 46.5 107.0
XCL CT XCL 100.0 109.47
XF CT XF 110.0 109.47
XBR CT XBR 100.0 109.47
XI CT XI 100.0 109.47
SO2 CT CT 53.0 109.47
SE CT CT 53.0 109.47
SE CT CUA2 53.0 109.47
SE CT NX 53.0 109.47
SE CT NP 53.0 109.47
NT CT NT 80.0 109.47
NP CT NT 80.0 109.47
HA C5R C5R 23.0 126.0
HA C5R O5R 25.0 123.0
HA C5R S5R 25.0 121.0
HA C5R CR55 23.0 126.0
HA C5R CR56 23.0 127.0
HA C5R N5R 25.0 122.0
HA C6R C6R 31.0 120.0
HA C6R C 28.0 120.0
HA C6R N6R 31.0 120.0
HA C6R CR56 31.0 120.0
HA C6R CR66 31.0 120.0
C CUA1 C 60.0 120.0
C CUA1 CUA1 60.0 122.0
C CUA1 NP 50.0 118.0
C CUA1 NT 50.0 118.0
C CUA1 NX 50.0 118.0
C CUA1 OT 60.0 120.0
C CUA1 SE 50.0 116.0
C CUA1 XBR 50.0 116.0
C5R CUA1 CUA1 60.0 122.0
C6R CUA1 C6R 60.0 116.0
C6R CUA2 C6R 60.0 116.0
C6R CUA1 CUA1 60.0 122.0
CUY1 CUA1 CUA1 90.0 122.0
CUY2 CUA1 CUY2 90.0 116.0
CH1E CUA1 CUA1 60.0 122.0
CH2E CUA1 CUA1 60.0 122.0
CH3E CUA1 CUA1 60.0 122.0
CT CUA1 CUA1 50.0 122.0
CT CUA1 CUA2 60.0 122.0
CT CUA1 NP 50.0 122.0
CT CUA1 N5R 50.0 122.0
CT CUA1 OE 60.0 122.0
CUA1 CUA1 NP 50.0 122.0
CUA1 CUA1 NX 50.0 122.0
CUA1 CUA1 NT 50.0 122.0
CUA1 CUA1 N5R 50.0 122.0
CUA1 CUA1 OT 60.0 120.0
CUA1 CUA1 OE 60.0 120.0
CUA1 CUA1 SO2 60.0 120.0
CUA1 CUA1 SO3 60.0 120.0
CUA1 CUA1 SE 60.0 120.0
CUA1 CUA1 XBR 50.0 120.0
CUA1 CUA1 XCL 50.0 120.0
SO2 CUA1 SE 35.0 120.0
SO3 CUA1 SE 35.0 120.0
CUA2 CUA1 OT 60.0 120.0
CUA2 CUA2 OE 60.0 120.0
HA CUA1 C 40.0 117.0
HA CUA1 C5R 40.0 117.0
HA CUA1 C6R 40.0 117.0
HA CUA1 CH1E 35.0 120.0
HA CUA1 CH2E 35.0 120.0
HA CUA1 CH3E 35.0 120.0
HA CUA1 CT 34.0 118.0
HA CUA1 CUA1 40.0 120.0
HA CUA1 CUY1 40.0 120.0
HA CUA2 CUA2 30.0 121.0
HA CUA1 CUA2 28.0 114.4
HA CUA2 CUA1 28.0 114.4
HA CUA1 HA 22.0 118.0
HA CUA1 NT 35.0 120.0
HA CUA1 NX 35.0 120.0
HA CUA1 XF 90.0 120.0
HA CUA1 XCL 50.0 120.0
HA CUA1 XBR 50.0 120.0
HA CUA1 XI 50.0 120.0
XCL CUA1 XCL 50.0 120.0
XBR CUA1 XBR 50.0 120.0
XCL CUA1 XBR 50.0 120.0
CT CUA1 CT 50.0 116.0
CH1E CUA1 CH2E 60.0 122.0
C CUA2 CUA2 60.0 122.0
C5R CUA2 CUA2 60.0 122.0
C5R CUA2 C5R 60.0 122.0
C6R CUA2 CUA2 60.0 122.0
C6R CUA2 C5R 60.0 122.0
CH1E CUA2 CUA2 60.0 122.0
CH2E CUA2 CUA2 60.0 122.0
CH3E CUA2 CUA2 60.0 122.0
CT CUA2 CUA2 60.0 122.0
CT CUA2 CUA1 60.0 122.0
CUA1 CUA2 CUA1 60.0 120.0
CT CUA2 CT 50.0 116.0
HA CUA2 C 40.0 117.0
HA CUA2 C5R 40.0 117.0
HA CUA2 C6R 40.0 117.0
HA CUA2 CH1E 35.0 120.0
HA CUA2 CH2E 35.0 120.0
HA CUA2 CH3E 35.0 120.0
HA CUA2 CT 34.0 117.0
HA CUA2 HA 22.0 118.0
SE CUA2 SO2 35.0 120.0
SE CUA2 SO3 35.0 120.0
SE CUA2 SE 35.0 120.0
SE CUA2 CUY2 35.0 120.0
SE CUA1 CUY2 35.0 120.0
CUA2 CUA2 SE 35.0 120.0
CUA2 CUA2 NT 35.0 120.0
NT CUA2 NT 35.0 120.0
CUA2 CUA2 SO2 35.0 120.0
CUA2 CUA2 SO3 35.0 120.0
CUA2 CUA2 CUY2 90.0 120.0
CUA1 CUA1 CUY2 90.0 120.0
CUA2 CUY2 N 35.0 180.0
C CUA2 CUY2 35.0 120.0
C6R CUY2 N 60.0 180.0
CUA1 CUY2 N 40.0 180.0
CT CUY2 N 30.0 180.0
HT HT OT 0.0 127.74
HT HT OW 0.0 127.74
C NX CH1E 50.0 121.0
C NX CH2E 50.0 126.0
C NX CUA1 50.0 126.0
C NX CT 50.0 123.0
C N OT 50.0 120.00
C N OE 50.0 114.0
C N CT 50.0 120.0
C N C 50.0 120.0
C N NP 50.0 120.0
C NP OS 50.0 120.00
C NP OT 50.0 120.0
C NP N 50.0 120.0
H NP N 35.0 120.0
CT NP N 50.0 120.0
CT NP NT 50.0 120.0
CT NP OT 50.0 120.0
NP N N 50.0 180.0
C6R N N 60.0 112.0
C6R N C 50.0 120.0
C6R N CUY2 50.0 180.0
C6R N O 50.0 118.0
C6R N OC 50.0 114.0
O N N 50.0 130.0
OC N N 50.0 126.0
SE N SE 80.0 111.0
C6R NP SO2 50.0 120.0
C6R NP SO3 50.0 120.0
CH1E NX CH1E 60.0 113.0
CH1E NX CH2E 60.0 113.0
CH1E NX CT 60.0 113.0
CH2E NX CH2E 60.0 113.0
CH2E NX CT 60.0 113.0
CT NX CT 60.0 113.0
CT NX CUA1 60.0 113.0
PT NX PT 60.0 180.0
NX PT C6R 60.0 120.0
PT C6R C6R 60.0 120.0
PT NX C 60.0 180.0
C N5R CUA1 70.0 106.0
C5R N5R C5R 70.0 106.0
C5R N5R C5RE 70.0 106.0
C5R N5R CR55 70.0 106.0
C5R N5R CR56 70.0 106.0
C5R N5R OC 90.0 127.0
CT N5R C5R 70.0 127.0
CT N5R C6RE 70.0 127.0
C5RE N5R C5RE 65.0 106.0
C5RE N5R CR55 65.0 106.0
C5RE N5R CR56 65.0 106.0
CH1E N5R C5R 70.0 127.0
CH1E N5R C5RE 70.0 127.0
CH1E N5R CR55 70.0 127.0
CH1E N5R CR56 70.0 127.0
CH2E N5R C5R 70.0 127.0
CH2E N5R C5RE 70.0 127.0
CH2E N5R CR55 70.0 127.0
CH2E N5R CR56 70.0 127.0
CH3E N5R C5R 70.0 127.0
CH3E N5R C5RE 70.0 127.0
CH3E N5R CR55 70.0 127.0
CH3E N5R CR56 70.0 127.0
CT N5R CR55 70.0 127.0
CT N5R CR56 70.0 127.0
H N5R C5R 30.0 127.0
H N5R C5RE 30.0 127.0
H N5R CR55 30.0 127.0
H N5R CR56 30.0 127.0
C N6R C6RE 116.0 125.3
C N6R H 35.0 119.3
C N6R CH1E 70.0 117.6
C N6R CH3E 70.0 120.0
C N6R CT 70.0 120.0
C6R N6R C6R 70.0 120.0
C6R N6R C6RE 70.0 120.0
C6R N6R CR56 70.0 120.0
C6R N6R CR66 70.0 120.0
C6RP N6R C6RP 70.0 120.0
CT N6R C6R 70.0 120.0
CT N6R C6RE 70.0 120.0
C6RE N6R C6RE 65.0 120.0
C6RE N6R CR66 65.0 120.0
CR66 N6R CR66 65.0 120.0
CR66 N6R C6RP 65.0 120.0
CH1E N6R C6R 70.0 120.0
CH1E N6R C6RE 70.0 120.0
CH1E N6R CR56 70.0 120.0
CH1E N6R CR66 70.0 120.0
CH2E N6R C6R 70.0 120.0
CH2E N6R C6RE 70.0 120.0
CH2E N6R CR56 70.0 120.0
CH2E N6R CR66 70.0 120.0
CH3E N6R C6R 70.0 120.0
CH3E N6R C6RE 70.0 120.0
CH3E N6R CR56 70.0 120.0
CH3E N6R CR66 70.0 120.0
CT N6R CR56 70.0 120.0
CT N6R CR66 70.0 120.0
CR56 N6R C6RE 70.0 111.0
H N6R C6R 30.0 120.0
H N6R C6RE 30.0 120.0
H N6R CR56 30.0 120.0
H N6R CR66 30.0 120.0
C N6R C 116.0 126.4
C N6R C6R 116.0 125.3
HC NC C 35.0 120.0
HC NC HC 40.0 120.0
C NP C 60.0 120.0
C NP C5R 60.0 120.0
C NP C6R 60.0 120.0
C NP CH1E 61.0 121.30
C NP CH2E 77.5 120.0
C NP CH3E 61.0 120.40
C NP CT 44.0 118.30
C NP CUA1 60.0 120.0
C NP CUA2 60.0 120.0
C NP CUY1 60.0 120.0
C NP SO2 60.0 120.00
C NP SO3 60.0 120.0
C NP NT 60.0 120.0
C NP NP 80.0 120.0
C5R NP CT 80.0 120.0
C6R NP CT 80.0 120.0
C6R NP C6R 80.0 120.0
C6R NP N 60.0 180.0
CUA1 NP CT 80.0 120.00
CH1E NP C5R 77.5 120.0
CH1E NP C6R 77.5 120.0
CH1E NP CH1E 60.0 120.0
CH1E NP CH2E 60.0 120.0
CH1E NP CH3E 60.0 120.0
CH1E NP PT 60.0 120.0
CH1E NP CT 60.0 120.0
CH2E NP C5R 77.5 120.0
CH2E NP C6R 77.5 120.0
CH2E NP CH2E 60.0 120.0
CH2E NP CH3E 60.0 120.0
CH2E NP CT 60.0 120.0
CH2E NP PT 55.0 120.0
CH3E NP C5R 77.5 120.0
CH3E NP C6R 77.5 120.0
CH3E NP CH3E 60.0 120.0
CH3E NP CT 60.0 120.0
CH3E NP PT 55.0 120.0
CT NP CT 55.0 119.0
CT NP CUY1 60.0 120.0
CT NP NO2 40.0 120.5
CT NP NP 60.0 120.0
CT NP SO2 43.0 120.0
CT NP SO3 43.0 120.0
H NP C 40.0 120.9
H NP C5R 30.0 120.0
H NP C6R 30.0 120.0
H NP CH1E 37.0 118.70
H NP CH2E 37.0 118.70
H NP CH3E 37.0 118.50
H NP CT 23.0 120.80
H NP CUA1 35.0 120.0
H NP CUA2 35.0 120.0
H NP CUY1 35.0 120.0
H NP H 40.0 118.0
H NP NT 35.0 120.0
H NP NP 35.0 120.0
H NP NO2 35.0 120.0
H NP PT 35.0 120.0
SO2 NP H 40.0 120.0
SO3 NP H 40.0 120.0
SO2 NT H 50.0 109.47
SO3 NT H 50.0 109.47
SO2 NT C 35.0 109.47
SO2 NT OE 45.0 104.00
CH1E NT CH1E 35.0 109.47
CH1E NT CH2E 35.0 109.47
CH1E NT CH3E 35.0 109.47
CH1E NT CT 35.0 109.47
CH2E NT CH2E 35.0 109.47
CH2E NT CH3E 35.0 109.47
CH2E NT CT 35.0 109.47
CH3E NT CH3E 35.0 109.47
CH3E NT CT 35.0 109.47
CT NT CT 35.0 109.47
CT NT C 35.0 109.47
CT NT NP 35.0 109.47
CT NT NT 66.0 109.47
CT NT OE 35.0 109.47
CT NT PT 55.0 109.47
CT NT SO2 95.0 118.00
CT NT SO3 95.0 118.0
C6R NT CH2E 35.0 109.47
C6R NT CT 35.0 109.47
CUA2 NT CT 35.0 109.47
CUA1 NT CT 35.0 109.47
CUA2 NT CUA2 35.0 109.47
CUA2 NT H 35.0 109.47
CUA1 NT C 35.0 109.47
CUA1 NT H 35.0 109.47
CUA1 NT CUA1 35.0 109.47
CUA1 NT CUA2 35.0 109.47
H NT CH1E 35.0 109.47
H NT CH2E 35.0 109.47
H NT CH3E 35.0 109.47
H NT C 35.0 109.47
H NT CT 35.0 109.47
H NT H 35.0 109.47
H NT NP 35.0 109.47
H NT NT 48.0 109.47
H NT PT 45.0 109.47
HC NT CH1E 35.0 109.47
HC NT CH2E 35.0 109.47
HC NT CH3E 35.0 109.47
HC NT CT 35.0 109.47
HC NT HC 40.0 109.47
C5R OE C5R 122.0 118.0
C5R OE C6R 122.0 118.0
CT OE C5R 122.0 118.0
C6R OE C6R 122.0 118.0
C6R OE C 122.0 118.0
CT OE C6R 122.0 118.0
CH1E OE C5R 122.0 118.0
CH1E OE C6R 122.0 118.0
CH1E OE CH1E 70.0 111.0
CH1E OE CH2E 70.0 111.0
CH1E OE CH3E 70.0 111.0
CH1E OE CT 70.0 111.0
CH2E OE C5R 122.0 118.0
CH2E OE C6R 122.0 118.0
CH2E OE CH2E 70.0 111.0
CH2E OE CH3E 70.0 111.0
CH2E OE CT 70.0 111.0
CH3E OE C5R 122.0 118.0
CH3E OE C6R 122.0 118.0
CH3E OE CH3E 70.0 111.0
CH3E OE CT 70.0 111.0
CT OE CT 70.0 108.0
H OE CT 50.0 109.47
H OE C6R 50.0 109.47
CT OE NO2 122.0 118.00
CT OE NT 50.0 108.0
CT OE SO4 60.0 118.0
CT OE MSI 58.0 122.0
MSI OE MSI 58.0 139.0
CUA1 OE N 70.0 111.0
CUA2 OE C6R 70.0 120.0
C5R O5R C5R 100.0 106.0
C5R O5R CR56 100.0 108.0
C5R O5R CR55 100.0 108.0
H OH2 H 55.0 109.47122
H OH2 LP 55.0 109.47122
LP OH2 LP 55.0 109.47122
MFE OM OM 0.0 180.0
OS OS OS 70.0 119.0
C6R OS OS 70.0 119.0
C OS C5R 70.0 119.0
C OS C6R 70.0 119.0
C OS C6RE 70.0 119.0
C OS CH1E 46.5 120.5
C OS CH2E 46.5 120.5
C OS CH3E 46.5 120.5
C OS CUY1 70.0 119.0
C OS CT 70.0 119.0
H OT C 50.0 110.0
H OT N 50.0 112.50
H OT NP 50.0 112.5
H OT C5R 50.0 109.47
H OT C6R 50.0 109.47
H OT CH1E 49.0 109.47
H OT CH2E 49.0 109.47
H OT CH3E 49.0 109.47
H OT CT 55.0 110.00
H OT CUA1 40.0 109.47
H OT SO3 55.0 110.0
H OT SO4 55.0 110.0
H OT PT 58.0 111.5
H OT PO3 58.0 111.5
H OT PO4 58.0 111.5
H OS PO4 58.0 111.5
HT OT HT 55.0 104.5
HT OW HT 55.0 104.5
C5R S5R C5R 90.0 98.0
C5R S5R CR56 90.0 108.0
CR56 S5R CR56 90.0 108.0
C5R S5R CR55 90.0 108.0
C5R SE C5R 75.0 98.0
C5R SE C6R 75.0 98.0
CT SE C5R 75.0 98.0
CT SE CT 75.0 98.0
H SE CT 50.0 109.47
C SE CT 75.0 98.0
C SE C6R 75.0 98.0
C6R SE C6R 75.0 98.0
CT SE C6R 75.0 98.0
H SE C6R 50.0 109.47
CH1E SE C5R 75.0 98.0
CH1E SE C6R 75.0 98.0
CH1E SE CH1E 75.0 98.0
CH1E SE CH2E 75.0 98.0
CH1E SE CH3E 75.0 98.0
CH1E SE CT 75.0 98.0
CH2E SE C5R 75.0 98.0
CH2E SE C6R 75.0 98.0
CH2E SE CH2E 75.0 98.0
CH2E SE CH3E 75.0 98.0
CH2E SE CT 75.0 98.0
CH3E SE C5R 75.0 98.0
CH3E SE C6R 75.0 98.0
CH3E SE CH3E 75.0 98.0
CH3E SE CT 75.0 98.0
CUA1 SE CUA2 75.0 98.0
CUA1 SE C6R 75.0 98.0
CUA2 SE CT 75.0 98.0
CUA1 SE CT 75.0 98.0
N SE N 75.0 100.0
CT SO1 CT 30.0 96.0
C5R SO1 C5R 30.0 96.0
C5R SO1 C6R 30.0 96.0
CT SO1 C5R 30.0 96.0
C6R SO1 C6R 30.0 96.0
CT SO1 C6R 30.0 96.0
CH1E SO1 C5R 30.0 96.0
CH1E SO1 C6R 30.0 96.0
CH1E SO1 CH1E 30.0 96.0
CH1E SO1 CH2E 30.0 96.0
CH1E SO1 CH3E 30.0 96.0
CH1E SO1 CT 30.0 96.0
CH2E SO1 C5R 30.0 96.0
CH2E SO1 C6R 30.0 96.0
CH2E SO1 CH2E 30.0 96.0
CH2E SO1 CH3E 30.0 96.0
CH2E SO1 CT 30.0 96.0
CH3E SO1 C5R 30.0 96.0
CH3E SO1 C6R 30.0 96.0
CH3E SO1 CH3E 30.0 96.0
CH3E SO1 CT 30.0 96.0
CT SO1 O 66.0 107.0
C5R SO1 O 66.0 107.0
C6R SO1 O 66.0 107.0
CH1E SO1 O 66.0 107.0
CH2E SO1 O 66.0 107.0
CH3E SO1 O 66.0 107.0
CT SO2 CT 21.0 103.0
C5R SO2 C5R 21.0 103.0
C5R SO2 C6R 21.0 103.0
CT SO2 C5R 21.0 103.0
C6R SO2 C6R 21.0 103.0
CT SO2 C6R 21.0 103.0
CH1E SO2 C5R 21.0 103.0
CH1E SO2 C6R 21.0 103.0
CH1E SO2 CH1E 21.0 103.0
CH1E SO2 CH2E 21.0 103.0
CH1E SO2 CH3E 21.0 103.0
CH1E SO2 CT 21.0 103.0
CH2E SO2 C5R 21.0 103.0
CH2E SO2 C6R 21.0 103.0
CH2E SO2 CH2E 21.0 103.0
CH2E SO2 CH3E 21.0 103.0
CH2E SO2 CT 21.0 103.0
CH3E SO2 C5R 21.0 103.0
CH3E SO2 C6R 21.0 103.0
CH3E SO2 CH3E 21.0 103.0
CH3E SO2 CT 21.0 103.0
CT SO2 O 69.0 110.5
CT SO3 O 69.0 109.0
CT SO3 OT 55.0 109.0
CT SO3 OC 55.0 109.0
C5R SO2 O 69.0 109.0
C5R SO3 O 69.0 109.0
C5R SO3 OT 55.0 109.0
C6R SO2 O 69.0 109.0
C6R SO3 O 69.0 109.0
C6R SO3 OT 55.0 109.0
C6R SO3 OC 55.0 109.0
C6R SO2 NP 70.0 103.00
C6R SO2 NT 70.0 107.0
CT SO2 NT 75.0 107.0
O SO2 NT 78.0 104.5
O SO3 NT 78.0 107.5
OT SO3 NT 55.0 109.0
CUA1 SO2 CT 70.0 109.0
CUA1 SO2 O 69.0 109.0
CUA1 SO3 O 69.0 109.0
CUA1 SO3 OT 55.0 109.0
CUA2 SO2 O 69.0 109.0
CUA2 SO3 O 69.0 109.0
CUA2 SO3 OT 55.0 109.0
CH1E SO2 O 69.0 109.0
CH1E SO3 O 69.0 109.0
CH2E SO2 O 69.0 109.0
CH2E SO3 O 69.0 109.0
CH3E SO2 O 69.0 109.0
CH3E SO3 O 69.0 109.0
O SO2 O 118.0 118.0
O SO3 O 118.0 118.0
O SO4 O 118.0 118.00
O SO3 OT 75.0 109.0
O SO3 OC 75.0 109.0
OC SO3 OC 75.0 109.0
O SO4 OT 75.0 109.00
O SO4 OC 75.0 108.0
OC SO4 OC 75.0 108.0
O SO4 OE 75.0 109.0
OT SO4 OE 55.0 109.0
NP SO2 O 75.0 107.50
NP SO3 O 75.0 107.5
NP SO3 OT 55.0 109.0
NT SO2 NP 75.0 108.50
NT SO2 NT 70.0 108.5
CT OS PO4 85.0 118.0
C5R OS PO4 85.0 118.00
C6R OS PO3 85.0 118.0
C6R OS PO4 85.0 118.00
CH1E OS PO4 85.0 118.00
CH2E OS PO4 85.0 118.00
CH3E OS PO4 85.0 118.00
CT NO2 O 58.0 117.0
C5R NO2 O 58.0 117.0
C6R NO2 O 58.0 117.0
CH1E NO2 O 58.0 117.0
CH2E NO2 O 58.0 117.0
CH3E NO2 O 58.0 117.0
O NO2 O 160.0 126.0
OE NO2 O 58.0 116.5
NP NO2 O 180.0 117.0
CH1E ST CH1E 50.0 99.5
CH1E ST CH2E 50.0 99.5
CH1E ST CH3E 50.0 99.5
CH1E ST CT 50.0 99.5
CH1E ST ST 50.0 104.2
CH2E ST CH2E 50.0 99.5
CH2E ST CH3E 50.0 99.5
CH2E ST CT 50.0 99.5
CH2E ST ST 50.0 104.2
C6R ST ST 50.0 104.2
CT ST CT 50.0 99.5
CT ST ST 73.0 104.2
H ST CT 50.0 109.47
OC ST OC 85.0 109.47
ST ST PT 50.0 99.5
PT ST PT 50.0 98.0
C PT CT 29.0 120.0
CT PT CT 30.0 110.0
CT PT OT 55.0 109.47
CT PT H 40.0 110.0
CT PT XCL 50.0 113.0
CT PT XF 65.0 113.0
CT PT XBR 35.0 113.0
CT PT XI 35.0 113.0
CT PT SE 50.0 113.0
XCL PT XCL 50.0 113.0
XF PT XF 50.0 113.0
XBR PT XBR 50.0 113.0
XI PT XI 50.0 113.0
H PT H 55.0 110.0
O PT O 135.0 110.0
OT PT O 75.0 110.0
OC PT OC 55.0 109.47
NT PT O 55.0 109.47
NP PT O 55.0 109.47
NP PT OC 55.0 109.47
NT PT CT 55.0 109.47
NP PT SE 55.0 109.47
OC PT SE 55.0 109.47
ST PT ST 55.0 109.47
PT PT ST 55.0 109.47
PT PT PT 55.0 109.47
CT PT O 55.0 109.47
C6R PT O 75.0 109.47
CH1E PT OC 55.0 109.47
CH2E PT OC 55.0 109.47
CH1E PT NP 55.0 109.47
CH2E PT NP 55.0 109.47
CH3E PT NP 55.0 109.47
O PO4 OT 135.0 113.0
O PO4 OC 135.0 113.0
O PO4 OS 135.0 113.0
OC PO4 OT 95.0 117.0
OC PO4 OC 144.0 109.47
OT PO4 OT 78.0 109.47
OS PO4 OC 78.0 105.0
OS PO4 OS 78.1 109.47
OT PO4 OS 78.1 109.47
C6R PO3 O 135.0 113.0
C6R PO3 OS 75.0 109.47
C6R PO3 OT 75.0 109.47
OS PO3 OS 50.0 102.6
OS PO3 OT 50.0 102.6
OS PO3 O 135.0 113.0
OT PO3 O 135.0 113.0
OS PO3 SK 50.0 102.6
O PO3 SK 50.0 102.6
PO4 OS PO3 50.0 111.5
PO3 OS CT 50.0 111.5
OS MAL OS 155.0 109.47
OS MAL OT 155.0 109.47
OT MAL OT 155.0 109.47
H OT MAL 46.0 110.0
MAL OS MAL 62.0 138.0
MAL OS MSI 58.0 141.5
OS MSI OS 134.0 109.47
OS MSI OT 134.0 109.47
OT MSI OT 134.0 109.47
OE MSI OE 67.0 109.47
OE MSI OT 134.0 109.47
OS MSI HA 50.0 109.90
OS MSI CT 85.0 109.47
OE MSI CT 85.0 109.47
HA MSI HA 30.0 108.60
CT MSI CT 50.0 109.47
CT MSI HA 30.0 111.20
CT MSI C6R 50.0 109.47
MSI OS MSI 62.0 144.3
CT OS MSI 58.0 122.0
H OS MSI 46.0 110.0
H OT MSI 46.0 110.0
HA CT MSI 50.0 109.47
MSI CT MSI 50.0 115.5
MSI MSI MSI 50.0 109.47
MSI MSI CT 50.0 109.47
MSI MSI C6R 50.0 109.47
MSI MSI OS 50.0 106.0
MSI MSI HA 30.0 109.47
MSI CUA1 CUA2 50.0 120.0
MSI C O 50.0 120.0
MSI CUA2 CUA1 50.0 120.0
MCU NP C 80.0 120.0
MCU NT NP 72.0 130.0
MCU NT H 35.0 109.5
MCU NT HC 35.0 107.0
MCU NT CT 72.0 130.0
MCU NP N 80.0 120.0
MCU NT NT 72.0 130.0
MCU OE CT 100.0 128.6
MCU O C 100.0 130.0
MCU NT C6R 72.0 130.0
MCU OE C6R 100.0 128.6
NP MCU NP 85.0 88.4
NP MCU NT 85.0 88.4
OE MCU NT 125.0 88.4
OE MCU NP 125.0 88.4
OE MCU OE 125.0 88.4
OE MCU XCL 55.0 90.0
O MCU NP 125.0 88.4
O MCU OE 125.0 88.4
O MCU XCL 55.0 90.0
NT MCU XCL 30.0 90.0
PHI ! dihedral terms
NP CT C NP 0.50 2 180.0
X C C X 3.0 2 180.00
X C C5R X 2.9 2 180.0
X C C6R X 2.9 2 180.0
X C C6RP X 2.9 2 180.0
X C CH1E X 1.20 2 180.0
X C CH2E X 1.20 2 180.0
X C CT X 2.20 2 180.0
X C CUA1 X 3.1 2 180.0
X C CUA2 X 3.1 2 180.0
X C CUY1 X 3.0 2 180.0
X C N5R X 8.2 2 180.0
X C N6R X 8.2 2 180.0
X C NC X 8.2 2 180.0
X C NP X 9.5 2 180.0
X C N X 8.2 2 180.0
X C NX X 9.0 2 180.0
X C NT X 1.0 3 0.0
X C OT X 1.0 2 180.0
X C OS X 4.0 2 180.0
X C OE X 4.0 2 180.0
X C SE X 4.0 2 180.0
X C5R C5R X 10.0 2 180.0
X C5R C5RE X 10.0 2 180.0
X C5R CR55 X 10.0 2 180.0
X C5R CR56 X 10.0 2 180.0
X C5R N5R X 8.2 2 180.0
X C5R NO2 X 0.2 3 0.0
X C5R NP X 8.2 2 180.0
X C5R OE X 3.0 2 180.0
X C5R OS X 4.0 2 180.0
X C5R OT X 1.8 2 180.0
X C5R SE X 0.8 3 0.0
X C5R SO1 X 2.0 3 0.0
X C5R SO2 X 3.6 3 0.0
X C6R C6R X 10.0 2 180.0
X C6R C6RE X 10.0 2 180.0
X C6R CR56 X 10.0 2 180.0
X C6R CR66 X 10.0 2 180.0
X C6R N5R X 8.2 2 180.0
X C6R N6R X 8.2 2 180.0
X C6R NC X 8.2 2 180.0
X C6R NO2 X 4.5 2 180.0
X C6R NP X 1.8 2 180.0
X C6R N X 5.5 2 180.0
X C6R OT X 1.0 2 180.0
X C6R OE X 3.0 2 180.0
X C6R OS X 3.0 2 180.0
X C6R PO3 X 3.0 3 0.0
X C6R SE X 0.8 3 0.0
X C6R ST X 0.8 3 0.0
X C6R SO1 X 2.0 3 0.0
X C6R SO2 X 3.6 3 0.0
X C6R SO3 X 3.6 3 0.0
X C6R MSI X 1.0 2 0.0
X CH1E C5R X 2.0 3 0.0
X CH1E C6R X 2.0 3 0.0
X CH1E CH1E X 0.96 3 0.00
X CH1E CH2E X 1.6 3 0.0
X CH1E CT X 0.73 3 0.00
X CH1E CUA1 X 1.0 3 0.0
X CH1E CUA2 X 1.0 3 0.0
X CH1E N5R X 0.3 3 0.0
X CH1E N6R X 0.3 3 0.0
X CH1E NO2 X 0.2 3 0.0
X CH1E NP X 0.01 3 0.0
X CH1E NT X 0.6 3 0.0
X CH1E NX X 0.3 3 0.0
X CH1E OE X 1.5 3 0.00
X CH1E OS X 1.0 3 0.0
X CH1E OT X 0.5 3 0.0
X CH1E SE X 0.8 3 0.0
X CH1E SO1 X 2.0 3 0.0
X CH1E SO2 X 3.6 3 0.0
X CH1E ST X 1.2 3 0.0
X CH1E PT X 1.0 3 0.0
X CH2E C5R X 2.0 3 0.0
X CH2E C6R X 2.0 3 0.0
X CH2E CH2E X 0.9 3 0.00
X CH2E CT X 0.9 3 0.00
X CH2E CUA1 X 0.7 3 0.0
X CH2E CUA2 X 0.7 3 0.0
X CH2E NO2 X 0.2 3 0.0
X CH2E NP X 0.01 3 0.0
X CH2E NT X 0.6 3 0.0
X CH2E NX X 0.3 3 0.0
X CH2E OE X 1.5 3 0.00
X CH2E OS X 1.0 3 0.0
X CH2E OT X 0.5 3 0.0
X CH2E SE X 0.8 3 0.0
X CH2E SO1 X 2.0 3 0.0
X CH2E SO2 X 3.6 3 0.0
X CH2E ST X 1.2 3 0.0
X CR55 CR55 X 10.0 2 180.0
X CR56 CR56 X 10.0 2 180.0
X CR66 CR66 X 10.0 2 180.0
X C6RP C6RP X 3.5 2 180.0
X C6R C6RP X 10.0 2 180.0
X N6R C6RP X 10.0 2 180.0
X N6R CR66 X 10.0 2 180.0
X CT C5R X 2.0 3 0.0
X CT C6R X 2.0 3 0.0
X CT CT X 2.1 3 0.00
X CT CUA1 X 1.8 3 180.0
X CT CUA2 X 1.8 3 180.0
X CT CUY2 X 0.2 3 180.0
X CT NC X 0.3 3 0.0
X CT N5R X 0.3 3 0.0
X CT N6R X 0.3 3 0.0
X CT NO2 X 1.2 3 0.0
X CT NP X 0.30 3 0.00
X CT N X 0.2 3 0.0
X CT NT X 1.5 3 0.0
X CT NX X 0.3 3 0.0
X CT OE X 1.30 3 0.00
X CT OS X 0.8 3 0.0
X CT OT X 0.5 3 0.0
X CT PT X 1.0 3 0.0
X CT SE X 0.8 3 0.0
X CT SO1 X 2.0 3 0.0
X CT SO2 X 3.6 3 0.0
X CT SO3 X 3.6 3 0.0
X CT ST X 0.5 3 0.0
X CT MSI X 2.5 3 0.0
X CUY1 OS X 1.5 3 0.0
X N OT X 0.5 3 0.00
X N OE X 0.5 3 0.0
X N N X 7.0 2 180.0
X N NP X 5.0 2 180.0
X N SE X 2.0 3 0.0
X NP NT X 0.5 3 0.0
X NP NP X 5.0 2 180.0
X NT NT X 1.4 3 0.0
X NP OS X 0.5 3 0.00
X NP OT X 0.5 3 0.0
X NP PT X 3.0 2 180.0
X NP SO2 X 5.0 3 0.0
X NP SO3 X 5.0 3 0.0
X NP NO2 X 10.5 2 180.0
X NT SO2 X 3.6 3 0.0
X OE NO2 X 0.5 3 0.00
X OE NT X 0.5 3 0.00
X OS OS X 0.5 3 0.00
X OS PO3 X 0.2 3 0.0
X OT PO3 X 0.2 3 0.0
X MSI OS X 0.8 3 0.0
X MSI MSI X 0.9 3 0.0
X MSI OT X 0.8 3 0.0
X MSI OE X 0.8 3 0.0
X MAL OS X 0.8 3 0.0
X MAL OT X 0.8 3 0.0
X MAL MAL X 0.6 3 0.0
X CUA1 C5R X 3.1 2 180.0
X CUA1 C6R X 3.1 2 180.0
X CUA1 CUA1 X 6.2 2 180.0
X CUA1 NP X 1.0 2 180.0
X CUA1 NX X 1.0 2 180.0
X CUA1 N5R X 1.0 2 180.0
X CUA1 NT X 1.0 3 0.0
X CUA1 OT X 3.0 2 180.0
X CUA1 OE X 3.0 2 0.0
X CUA1 SE X 3.0 3 0.0
X CUA2 SE X 3.0 3 0.0
X CUA1 SO2 X 3.0 3 0.0
X CUA2 SO2 X 3.0 3 0.0
X CUA2 C5R X 3.1 2 180.0
X CUA2 C6R X 3.1 2 180.0
X CUA2 CUA2 X 6.2 2 180.00
X CUA1 CUA2 X 1.4 2 180.0
X CUY1 CUA1 X 1.0 2 180.0
X CUA2 CUY2 X 1.0 2 180.0
X CUA1 CUY2 X 1.0 2 180.0
X CUY1 CT X 1.0 3 0.0
X CUY2 C6R X 1.0 2 0.0
X CUA2 NP X 1.0 2 180.0
X CUA2 NT X 1.0 3 0.0
X PT NX X 3.0 2 180.0
X PT NT X 1.0 3 0.0
X PT ST X 1.0 3 0.0
X PT OT X 0.2 3 0.0
X PO4 OT X 0.2 3 0.0
X PO4 OS X 0.2 3 0.0
X SO3 OT X 0.2 3 0.0
X SO4 OT X 0.2 3 0.0
X SO4 OE X 0.2 3 0.0
X ST ST X 4.5 2 0.0
X MCU OE X 10.0 2 0.0
X MCU O X 10.0 2 0.0
X MCU NT X 10.0 2 0.0
IMPHI ! improper dihedral terms
NP H H C 45.0 0 0.0
NC HC HC C 90.0 0 0.0
NP NC NC C 100.0 0 0.0
C OC OC CH1E 100.0 0 0.0
C OC OC CH2E 100.0 0 0.0
C OC OC CH3E 100.0 0 0.0
C OC OC CT 100.0 0 0.0
C X X C6R 100.0 0 0.0
C X X C6RE 100.0 0 0.0
C X X C6RP 100.0 0 0.0
C X X NC 90.0 0 0.0
C X X N6R 90.0 0 0.0
C X X NT 90.0 0 0.00
C X X NP 60.0 0 0.00
C X X N 45.0 0 0.00
C X X O 120.0 0 0.00
C X X OC 100.0 0 0.0
C X X OK 100.0 0 0.0
C X X OS 40.0 0 0.00
C X X CH1E 40.0 0 0.00
C X X CH2E 40.0 0 0.00
C X X CT 60.0 0 0.00
C X X C 100.0 0 0.00
C X X CUA1 100.0 0 0.00
C X X XBR 45.0 0 0.00
C X X HA 30.0 0 0.00
C5R X X C 90.0 0 0.0
C5R X X C5R 90.0 0 0.0
C5R X X C5RE 90.0 0 0.0
C5R X X CR55 90.0 0 0.0
C5R X X CR56 90.0 0 0.0
C5R X X N5R 90.0 0 0.0
C5R X X OE 150.0 0 0.0
C5R X X OC 150.0 0 0.0
C5R X X OS 90.0 0 0.0
C5R X X OT 150.0 0 0.0
C5R X X CT 130.0 0 0.00
C5R X X XCL 90.0 0 0.0
C5R X X XF 90.0 0 0.0
C5R X X XBR 90.0 0 0.0
C5R X X XI 90.0 0 0.0
C5RE X X C5RE 90.0 0 0.0
C5RE X X CR55 90.0 0 0.0
C5RE X X CR56 90.0 0 0.0
C5RE X X N5R 90.0 0 0.0
C6R X X C6R 40.0 0 0.0
C6R X X CUA1 90.0 0 0.0
C6R X X CUA2 90.0 0 0.0
C6R X X CUY2 90.0 0 0.0
C6R X X C6RE 90.0 0 0.0
C6R X X CR56 90.0 0 0.0
C6R X X C6RP 140.0 0 0.00
C6R X X N6R 90.0 0 0.0
C6R X X OE 150.0 0 0.0
C6R X X O 90.0 0 0.0
C6R X X OK 30.0 0 0.0
C6R X X OS 90.0 0 0.0
C6R X X NT 90.0 0 0.0
C6R X X NP 90.0 0 0.0
C6R X X N 90.0 0 0.0
C6R X X NT 110.0 0 0.0
C6R X X NO2 90.0 0 0.0
C6R X X OT 150.0 0 0.0
C6R X X CT 130.0 0 0.00
C6R X X XCL 90.0 0 0.0
C6R X X XF 90.0 0 0.0
C6R X X XI 90.0 0 0.0
C6R X X XBR 90.0 0 0.0
C6R X X SO1 90.0 0 0.0
C6R X X SO2 90.0 0 0.00
C6R X X SO3 90.0 0 0.0
C6R X X SE 90.0 0 0.00
C6R X X ST 90.0 0 0.0
C6R X X PT 90.0 0 0.00
C6R X X PO3 90.0 0 0.0
C6R X X MSI 90.0 0 0.0
C6RE X X C6RE 90.0 0 0.0
C6RE X X CR56 90.0 0 0.0
C6RE X X CR66 90.0 0 0.0
C6RP X X CR66 90.0 0 0.0
C6RP X X N6R 90.0 0 0.0
CR66 X X CR66 90.0 0 0.0
CR66 X X C6R 150.0 0 0.0
CR66 X X N6R 150.0 0 0.0
CR56 X X CR56 90.0 0 0.0
CR55 X X CR55 90.0 0 0.0
C6RE X X N6R 90.0 0 0.0
CH1E X X C5R 90.0 0 0.0
CH1E X X C6R 90.0 0 0.0
CH1E X X CH1E 55.0 0 35.26439
CH1E X X CH2E 55.0 0 35.26439
CH1E X X CH3E 55.0 0 35.26439
CH1E X X CT 55.0 0 35.26439
CH1E X X NX 45.0 0 0.0
CH1E X X N5R 90.0 0 0.0
CH1E X X N6R 90.0 0 0.0
CH1E X X NP 55.5 0 0.0
CH1E X X OT 55.0 0 35.26439
CH1E X X OS 31.5 0 35.26439
CH1E X X XCL 30.0 0 35.26439
CH1E X X XF 30.0 0 35.26439
CH2E X X C5R 90.0 0 0.0
CH2E X X C6R 90.0 0 0.0
CH2E X X CH2E 55.0 0 35.26439
CH2E X X CH3E 55.0 0 35.26439
CH2E X X CT 55.0 0 35.26439
CH2E X X NX 45.0 0 0.0
CH2E X X N5R 90.0 0 0.0
CH2E X X N6R 90.0 0 0.0
CH2E X X NP 55.5 0 0.00
CH2E X X OT 55.0 0 35.26439
CH2E X X XCL 30.0 0 35.26439
CH2E X X XF 30.0 0 35.26439
CH3E X X C5R 90.0 0 0.0
CH3E X X C6R 90.0 0 0.0
CH3E X X CH3E 55.0 0 35.26439
CH3E X X CT 55.0 0 35.26439
CT X X MSI 55.0 0 35.26439
PT X X CT 55.0 0 35.26439
HT X X MSI 55.0 0 35.26439
CH3E X X N5R 90.0 0 0.0
CH3E X X N6R 90.0 0 0.0
CH3E X X NP 55.5 0 0.0
CR55 X X N5R 90.0 0 0.0
CR56 X X N5R 90.0 0 0.0
CR56 X X S5R 90.0 0 0.0
CR56 X X N6R 90.0 0 0.0
C6RP X X C6RP 90.0 0 0.0
!T X X C5R 90.0 0 0.0
CT X X NX 45.0 0 0.0
CT X X N5R 90.0 0 0.0
CT X X N6R 90.0 0 0.0
CT X X NP 45.0 0 0.0
CT X X N 45.0 0 0.0
CUA1 X X CUA1 35.0 0 0.0
CUA1 X X CUA2 45.0 0 0.0
CUA2 X X CUA2 35.0 0 0.0
CUA2 X X CUA1 45.0 0 0.0
CUA1 X X NP 45.0 0 0.00
CUA1 X X OT 45.0 0 0.0
CUA1 X X SO2 45.0 0 0.0
CUA1 X X CT 45.0 0 0.0
CUA2 X X OE 45.0 0 0.0
CUA1 X X XF 90.0 0 0.0
CUA1 X X XCL 90.0 0 0.0
CUA1 X X XBR 90.0 0 0.0
CUA1 X X XI 90.0 0 0.0
H X X N5R 35.0 0 0.0
H X X N6R 35.0 0 0.0
HA X X C5R 75.0 0 0.0
HA X X C6R 75.0 0 0.0
HA X X CUA1 65.0 0 0.0
HA X X CUA2 65.0 0 0.0
HC X X NC 45.0 0 0.0
N5R X X N5R 90.0 0 0.0
N5R X X CUA1 90.0 0 0.0
N5R X X C 90.0 0 0.0
N6R X X N6R 90.0 0 0.0
NO2 X X NO2 35.0 0 0.0
NO2 X X CT 45.0 0 0.0
NP X X SO2 45.0 0 0.0
NP X X SO3 45.0 0 0.0
NP X X NO2 67.0 0 0.0
NP X X NP 65.0 0 0.0
NP X X OT 45.0 0 0.0
NP X X PT 45.0 0 0.0
NP X X H 28.0 0 0.0
NP X X NT 45.0 0 0.0
NP X X N 45.0 0 0.0
N X X N 45.0 0 0.0
NX X X CUA1 45.0 0 0.0
SO1 X X O 45.0 0 0.0
MCU NT O NT 55.0 0 0.0
MCU O NT O 55.0 0 0.0
NONBONDEDNONBONDED NBXMOD 5 ATOM RDIEL SWITCH VATOM VDISTANCE VSWITCH -
CUTNB 99.0 CTOFNB 98.0 CTONNB 97.0 EPS 1.0 E14FAC 0.5 WMIN 1.5
!
! Emin Rmin (these columns used
! (kcal/mol) (A) for 1-4 interactions)
!
H 0.044 -0.0498 0.800
HC 0.044 -0.0498 0.600
HA 0.100 -0.0450 1.4680
HT 0.044 -0.0498 0.800
C 1.65 -0.1410 1.870
C5R 1.65 -0.0903 1.800
C6R 1.65 -0.0903 1.800
CR55 1.65 -0.0903 1.800
C6RP 1.65 -0.0903 1.800
C5RP 1.65 -0.0903 1.800
CR56 1.65 -0.0903 1.800
CR66 1.65 -0.0903 1.800
CH1E 1.35 -0.0486 2.365 1.35 -0.1 1.9
CH2E 1.77 -0.1142 2.235 1.77 -0.1 1.9
CH3E 2.17 -0.1811 2.165 2.17 -0.1 1.9
C5RE 1.35 -0.0903 2.100 1.35 -0.1 1.9
C6RE 1.35 -0.0903 2.100 1.35 -0.1 1.9
CUA1 1.65 -0.0903 1.800
CUA2 1.65 -0.0903 1.800
CUY1 1.65 -0.0903 1.800
CUY2 1.65 -0.0903 1.800
CM 1.65 -0.0262 2.490
CT 1.65 -0.0380 2.060
XCL 1.91 -0.2400 2.030
XF 0.32 -0.2000 1.650
XBR 2.880 -0.8000 1.950
XI 4.690 -0.8000 2.150
N* 1.10 -0.0900 1.8300 1.10 -0.10 1.63
O5R 0.84 -0.1591 1.6
OA 0.84 -0.1591 1.600
OE 0.84 -0.1591 1.600
OK 0.84 -0.1591 1.600
OM 0.84 -0.1591 1.540
OS 0.84 -0.1591 1.600
O 0.84 -0.2000 1.560 0.84 -0.20 1.36
OT 0.84 -0.20000 1.540
OC 2.14 -0.1591 1.540
OH2 0.00 -0.0758 1.739
OW 0.84 -0.1591 1.600
P* 3.0 14.00 1.9
LP 0.00 -0.04598 0.2245
M* 0.01 -0.0010 0.6500
S* 0.34 -0.0430 1.890
MCA 0.00 -0.6380 1.565
MCU 0.00 -0.0600 1.270
MSI 0.36 -0.527 2.70
!MSI 0.10 0.3100 2.300
MAL 0.29 0.2500 2.660
!
NBFIX
! Emin Rmin
! (kcal/mol) (A)
HA H -0.050 2.95
OW OW -0.152073 3.5365
HT HT -0.04598 0.4490
HT OW -0.08363 1.9927
HBOND AEXP 4 REXP 6 HAEX 4 AAEX 2 NOACCEPTORS HBNOEXCLUSIONS ALL -
CUTHB 0.5 CTOFHB 5.0 CTONHB 4.0 CUTHA 90.0 CTOFHA 90.0 CTONHA 90.0
!
N* N* -3.00 3.00
N* O* -3.50 2.90
OT N* -4.00 2.85
O* O* -4.25 2.75
!
END
A.Widmer,
NIBR/CPC/CSG-SB