How to properly convert the CMAPTYPES in an amber topology to a gromacs topology

[Eduardneu]

GROMACS version: 2022.4
GROMACS modification: No

Hey,

I was wondering if ParmEd is now capable of converting an amber topology with ff19SB cmap parameters to a GROMACS topology.

I generated the AMBER topology using tleap. This assigned the CA-atoms the atomtype XC. I used the AMBER 2022 for tleap and ParmEd.

When I converted the AMBER topology to a GROMACS topology using ParmEd it added [cmaptypes] to the GROMACS topology.

However, I compared the [cmaptypes] values generated by ParmEd with the values from CHARMM-GUI and noticed a significant difference.

CHARMM-GUI assigned 14 different XC atomtypes (XC0 until XC13) and assigned different [cmaptypes] for every single XC atomtype.

Are the cmaptypes generated by ParmEd different from the ones generated by CHARMM-GUI?

I know that this is more an AMBER related question but I thought this might help others using the AMBER force field with ff19SB for GROMACS.

I posted this question also on github CMAPTYPES are differnt when converting Amber topology generated by tleap with ff19SB to a GROMACS topology using ParmEd compared to CHARMM-GUI · Issue #1292 · ParmEd/ParmEd · GitHub .

@jalemkul suggested here Amber ff19sb - #6 by michael.brunsteiner hat CHARMM-GUI generates an accurate topology file for GROMACS with ff19SB. I was just wondering if ParmEd also generates an accurate topology file for GROMACS.

This is the atomtype generated by ParmEd:

XC 6 12.010000 0.00000000 A 0.33996695 0.4577296

These are the the [cmaptypes] generated by ParmEd:

[ cmaptypes ]

C N XC C N 1 24 24\

-3.62727696 -1.1221906400000001 0.49802152 1.51699288 3.99877432 7.00723768 10.17364704 10.893671600000001 9.50621536 7.55684792\

6.1457102400000005 6.745988720000001 -4.04437992 -6.266376800000001 -4.52871976 -0.41727032000000003 2.8618560000000004 4.10320696 3.12841864 0.8612764\

-1.86719368 -3.9567669600000004 -4.4959172 -4.339226399999999 -1.36590864 0.7804833600000001 2.5678044800000004 2.80729664 4.23855936 7.069202720000001\

10.839237760000001 11.2708592 10.99182824 9.5526996 6.521768160000001 -0.5083141600000001 -5.0996684000000005 -6.04265832 -4.05852184 -0.22463896000000003\

3.3805046400000003 4.72097456 3.52117072 1.7380336 -0.23505712 -2.02225272 -2.39504712 -2.05091312 -0.011296800000000001 1.85556216\

2.8334048000000003 2.92490888 4.02074032 6.35244168 9.70361648 10.86860944 10.3267396 8.7880736 4.24650896 -1.4701739200000001\

-4.438303520000001 -2.14969736 -2.8896377600000003 0.5608652000000001 3.9649257600000003 5.23184096 4.43068864 2.96256488 5.3536372 0.019999520000000003\

-0.62178424 -0.55224616 1.95698232 4.440144480000001 3.5208778400000003 3.6535106400000004 6.42566168 9.48583928 9.555377360000001 10.94254072\

10.38983432 8.78899408 4.17931392 -0.67847744 -2.96758568 -2.95612152 -1.2261212 1.7093732000000001 5.07284896 6.605615520000001\

6.10667352 4.8239009600000005 3.09582528 1.8756872 2.17095208 1.78414128 4.52976576 5.10581888 4.243914880000001 3.8862247200000004\

5.01146968 7.94579256 11.02555128 12.216819760000002 11.358848720000001 9.02539008 4.7643208 0.4589848 -1.4777469600000002 -1.906858\

-0.30601775999999997 2.9997606400000003 5.85479672 7.1207496 7.38944608 6.46858952 5.39346888 4.02362728 4.41801112 4.1792720800000005\

5.39259024 4.548802960000001 5.25129656 2.5917787999999997 4.4973816 8.10687656 13.355620880000002 12.782161839999999 11.92540416 9.42353952\

5.391293200000001 1.2685469600000001 -1.3631472 -1.41979856 3.9467672000000005 4.24219944 5.721285280000001 6.50185232 7.04129544 7.108741520000001\

6.64745552 5.676432800000001 5.78090728 5.81509056 4.1204868800000005 3.2255292800000004 2.43897912 3.14862736 5.57128888 9.16689296\

12.44158424 13.871215200000002 12.479240240000001 9.798133040000002 7.03698592 0.8727824000000001 -0.7916128 0.6329973600000001 4.07299848 4.95544592\

5.9030800800000005 9.132123920000002 7.28367456 7.69759768 10.43226008 5.890318880000001 5.43384448 5.1559432 2.0290308 2.1495300000000004\

3.01741712 4.85641064 8.51510944 11.5513964 13.965397040000001 13.96259376 13.46750104 8.00600032 2.99800336 -0.25300648000000003\

0.23940848 3.99567816 6.58825192 8.27787664 9.23279096 9.445505520000001 9.0474816 8.58063088 6.1227819199999995 3.88120392\

2.675668 2.1950937600000002 0.33279536 1.8694112 4.28542016 8.45234944 12.5204108 15.60744968 16.35404264 14.0695368\

9.831563200000002 5.0787065600000005 1.32532384 0.9313165600000001 3.63999632 7.28087128 11.111658 10.724177760000002 12.33635664 12.752832000000001\

12.232426080000002 10.621418720000001 6.401854720000001 1.8409600000000002 0.0 -0.03217496 1.04570712 4.581145279999999 9.103003280000001 14.35664288\

18.85168144 21.15823696 19.43660464 14.679480320000001 9.01204312 5.333093760000001 4.06019544 5.6478560799999995 8.841754320000001 9.64612832\

10.73961672 13.06173672 15.548413440000001 17.39033576 16.820474960000002 13.02818104 6.30537168 2.1719980800000003 -0.8449588 -0.36045160000000004\

6.40059952 11.81440264 17.240674079999998 21.317061600000002 25.75703872 25.44608384 21.06313464 14.752658480000001 9.83068456 9.142625760000001\

10.23954504 11.94109416 11.060236640000001 10.12871088 11.3685556 15.408123920000001 20.05608768 23.711774000000002 21.26045208 13.35327784\

5.621162160000001 1.04775728 1.5361556 3.4707953600000003 14.63885368 21.35634936 20.09495704 19.02259784 19.61057536 19.501540320000004\

18.311819919999998 15.41230792 14.206144400000001 16.54847312 16.5784724 11.963311200000001 9.25701632 9.22375352 10.616314240000001 18.04960864\

23.1002824 19.64873344 15.8471092 10.93798016 6.37060024 5.64915312 7.324008320000001 10.61510088 23.66813488 17.37485496\

14.025981360000001 12.56292024 12.90764 14.833242320000002 17.424686400000002 19.364932720000002 21.49651336 20.96924568 12.63793936 6.1544966400000005\

5.72848176 5.70827304 12.22401624 25.46729672 15.862548160000001 13.677537840000001 16.21835552 13.18537392 10.73555824 12.40317512\

14.72876784 20.2089292 19.02473168 12.99521112 9.043548640000001 7.49383688 8.82288448 14.551784640000001 20.400932960000002 24.79543\

25.18123664 17.258288720000003 9.510817760000002 7.749186400000001 5.8870971999999995 9.68905616 15.191392720000001 13.73808032 10.392846800000001 10.104945760000001\

12.267906400000001 14.922821760000001 16.034343200000002 17.283183519999998 19.3265236 21.798640000000002 10.64422152 7.06895168 4.08027864 3.69919992\

8.4797128 16.819596320000002 24.39811736 27.17085416 22.82376184 16.875829279999998 11.42152504 12.728522960000001 10.199085760000001 12.45099824\

11.43541592 7.25417736 6.5109316 9.627886080000001 16.17772888 18.267343999999998 19.15213448 20.01257408 19.340581840000002 15.28544904\

5.81969296 3.3777432000000003 1.2292592 2.2449252 8.96744168 18.215629760000002 23.60453808 23.132122640000002 20.13453768 16.29559216\

12.641453920000002 10.75124824 9.91202152 8.0320248 4.375794560000001 2.57918496 5.30271792 10.376696560000001 14.6992288 17.36138248\

16.666964 15.042023920000002 12.3764812 8.58293208 2.48809928 1.11721168 -0.004937120000000001 1.4367019200000002 8.18260696 15.53443888\

18.05554992 17.861579680000002 16.45910288 15.91317456 10.25130208 7.56337496 5.1666124 1.20114272 -0.6919917600000001 0.47731072\

4.63972128 9.07672776 13.705235920000002 12.16050312 11.156008400000001 9.73169112 6.832932240000001 4.3652508800000005 -0.004225840000000001 -0.30451152\

-0.63797632 1.6709222400000001 5.668357680000001 10.82384064 12.06766016 12.214016480000002 11.259897120000002 8.734183680000001 5.4525051200000005 2.25605464\

-1.9681536 -4.42198592 -3.52916216 0.3135908 4.749174720000001 7.99022664 6.71046656 6.36223224 4.99084256 3.45715552\

2.07911328 0.78445816 2.2030015200000004 -0.04673528 0.048952800000000005 1.46519496 4.15086272 7.03125384 7.7464668 7.172003600000001\

5.805467360000001 3.80907176 1.0377993600000002 -3.08356616 -6.320726960000001 -6.44181192 -3.02097352 1.803304 4.9382078400000005 5.1802104\

4.0719106400000005 2.908926 1.2304725600000002 -0.17643928 -0.53086592 -0.75634168 1.7463179199999999 1.7920072 1.0625268 1.7434728000000002\

3.5440572 6.45917552 7.959725280000001 7.33994936 5.83496456 3.6806648 -0.8266747200000001 -5.00665808 -6.935607600000001 -5.923749040000001\

-2.3894824000000003 2.4081012 5.44593624 5.770196240000001 4.82461224 3.0583366400000003 0.7710275200000001 0.49965328000000003 0.503126 0.9700604\

2.13618304 1.99857128 1.26938376 1.6630563200000001 3.5384088 6.49888168 9.5832428 9.998086400000002 8.04503704 4.42261352\

1.4160329600000001 -3.95760376 -5.888310560000001 -5.11565128 -1.18808864 3.83229296 5.97847576 6.1747472000000005 5.65580568 5.748648640000001\

2.2264737599999997 2.25509232 2.5727416 2.6965879999999998 -1.0360002400000001 -1.34833584 -0.8304821600000001 -0.3759324 4.26755448 5.8818672\

9.232330720000002 10.4721336 8.02817552 3.50866056 -0.890146 -4.10232832 -6.05219784 -5.01331064 0.03635896 5.25020872\

5.993287120000001 6.964100640000001 6.8447311200000005 3.6463560000000004 2.2255532799999997 1.62535848 1.33063752 0.24547528000000002 -2.12283608 -6.08198792\

-3.3133096 0.48500928 0.9934071200000001 5.313972880000001 9.3232072 14.35187312 8.53498344 3.47196688 -1.18005536 -1.28515744\

-5.35962032 -1.98263024 3.72664696 4.53010048 4.974776 5.44438816 5.049795120000001 3.7840514400000003 1.99497304 -0.7250872\

-2.61809616 -4.54897032 -6.7887492 -8.20633024 -3.51175672 -2.73658704 0.49488352 5.96738816 10.6323808 12.15230248\

9.406719840000001 7.803369200000001 -0.7920312 -3.5868595200000004 -3.66907512 -4.43508184 -4.86544808 1.95878144 1.6382452 7.55705712\

4.78034552 3.33803704 0.20539256 -1.69443632 -5.32882608 -5.7168084

These are the atomtypes generated by CHARMM-GUI

XC0 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC1 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC2 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC3 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC4 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC5 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC6 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC7 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC8 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC9 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC10 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC11 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC12 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

XC13 6 12.0100 -0.003 A 3.39966950842e-01 4.577296e-01

[Eduardneu]

And these are the [cmaptypes] generated by CHARMM-GUI:

[ cmaptypes ]

; i j k l m

C N XC0 C N 1 24 24\

-2.881102 -0.739857 1.101020 2.221495 4.428973 7.657766 10.460711 11.298264 10.194442 8.716276\

7.804373 8.199678 -2.853614 -5.253472 -3.589746 -0.286353 2.950724 4.317553 3.343602 1.560046\

-0.648562 -2.448393 -3.003066 -3.281009 -1.841839 0.013849 1.545360 2.751691 4.301821 6.992887\

10.167538 12.098496 11.331569 10.666480 8.017464 0.404258 -4.474579 -5.740825 -4.143499 -0.795755\

2.778469 4.384916 3.624139 2.013215 -0.014979 -1.157671 -1.858365 -1.953551 -0.644001 0.717389\

1.890373 2.089615 3.317619 5.954041 9.916582 11.023920 10.593009 9.489103 5.573465 -0.883996\

-4.144670 -4.757543 -2.996455 0.211794 3.494058 5.189583 4.430438 2.891562 0.964830 -0.043095\

-0.468859 -0.795127 0.223551 2.896792 1.792258 1.671801 2.976539 7.381957 10.486150 12.332884\

12.055987 9.063548 4.970425 -0.214597 -2.867044 -1.568582 0.054559 0.975500 4.004046 5.754172\

5.424598 4.117516 2.698220 1.758744 1.205787 0.686427 2.897922 2.946038 2.617720 1.936648\

3.370254 6.030734 12.466144 11.354079 10.690664 9.150952 5.348784 1.196122 -1.101856 -1.928406\

-0.377397 2.554165 8.265952 6.457000 6.799209 6.218219 5.066238 4.226175 3.716689 3.332221\

5.057326 4.110654 3.119130 2.452619 4.164335 7.263257 10.668949 12.427652 12.383092 10.136702\

6.195207 2.046018 -0.696343 -0.856548 1.303985 4.124838 5.356608 6.290184 7.082089 7.059872\

6.830045 6.384575 6.359596 6.120815 3.680121 4.180611 5.505433 3.037124 4.589890 7.991440\

17.571628 12.959061 12.037326 9.390402 5.288534 5.926385 -1.134659 4.238099 3.154862 4.265002\

5.360248 5.887516 6.727328 6.724776 6.214788 5.531625 5.674885 4.898627 0.805462 0.805336\

1.935560 4.025719 6.637665 9.503872 11.870092 12.294098 10.543931 7.306687 2.849806 -0.303382\

-0.362585 2.921394 5.171759 6.546077 7.839644 7.761738 7.536681 7.254094 7.247734 3.518702\

2.612406 1.520215 -0.648687 0.208280 2.937084 6.959080 10.634598 13.408381 14.232127 12.532335\

8.944430 5.034440 1.813136 1.089179 6.093745 6.083578 7.514757 9.077857 10.710998 11.227513\

10.988983 9.789221 5.491584 1.585443 0.000000 -0.500114 0.515636 2.939009 7.282043 12.615262\

16.506759 18.496753 17.366403 13.047302 7.810733 4.616751 3.993586 5.338366 8.445195 8.710711\

9.843739 11.709091 14.334217 16.328897 16.669516 12.730071 5.944627 0.248488 -1.249928 -0.491997\

5.768857 10.127246 15.296913 20.388716 24.062142 24.131304 19.542418 13.498839 9.569352 9.051582\

10.863338 12.138328 11.191238 10.071348 11.003585 14.588813 19.148704 22.915182 20.823433 13.289012\

5.399075 0.880858 1.463563 3.372555 14.695547 20.912804 20.121442 18.035341 18.296423 18.006053\

16.941644 14.756550 14.283925 16.744661 17.131053 13.257171 8.609375 11.643905 11.373660 18.547756\

22.885978 19.223304 15.248714 10.818652 6.657372 5.511458 7.744500 11.069065 23.277182 17.630790\

13.473066 11.597420 11.728296 13.450137 16.847713 18.529095 21.270201 21.717178 13.714524 9.702403\

7.925416 5.969564 12.343135 18.599219 15.361640 12.736222 11.531690 11.307134 10.974925 12.641412\

15.286913 19.178996 17.565436 12.382883 8.361013 6.099226 7.562957 13.248762 19.067576 24.217578\

25.254917 17.683760 10.508200 7.055144 6.651891 10.197831 15.050434 13.037009 9.625376 9.353039\

11.628173 14.321497 16.289735 18.326464 20.631848 21.829685 9.205260 5.756138 3.150468 2.308773\

6.696325 15.001941 22.854138 25.828878 21.829894 16.633869 11.565162 9.768845 10.162936 12.020967\

10.435524 6.153576 5.589196 8.864348 13.771218 17.479539 19.627186 20.619170 18.547630 13.787577\

3.792419 1.539335 0.445512 1.113739 7.261248 16.060326 21.575884 21.390198 19.433843 15.735480\

12.425099 10.761039 9.542993 7.102842 3.486360 1.623978 4.413074 8.996730 13.884604 16.452994\

16.281450 14.533919 11.408429 7.105896 1.408083 0.015397 -0.863243 0.402584 6.834397 13.405076\

16.235217 16.360821 15.481135 13.204997 10.186827 7.507351 4.816077 0.618312 2.010496 0.038660\

4.544786 8.594103 11.182075 12.029879 10.767775 8.492265 6.114330 3.372681 -0.208656 -0.555510\

-1.031565 0.339615 4.821809 8.780124 10.623385 10.808318 10.617737 8.771630 5.851910 2.717675\

-1.941836 -4.670474 -3.534894 0.502917 5.133517 6.815903 6.500095 6.088013 4.860009 4.638382\

3.330380 0.250622 -0.643290 -0.009205 0.061045 0.465010 2.629937 5.134856 8.614061 6.066674\

5.445141 3.858861 1.054494 -3.070136 -6.434155 -6.740675 -3.529455 1.005959 4.497089 4.615036\

3.110762 1.949200 0.440199 -0.509653 -1.284237 -1.325031 0.017154 -0.246521 -0.786048 -0.774291\

1.259719 4.059400 5.803543 6.202822 5.123099 2.848132 -1.636488 -5.691955 -7.620696 -6.856530\

-3.417533 1.030184 4.151490 4.069944 2.492534 0.953032 -0.379949 -0.854875 -0.973617 -0.346310\

0.266856 -0.312168 -1.382394 -1.526240 0.610655 3.898609 6.726700 7.355263 5.827433 2.360613\

-1.805396 -5.429284 -7.351916 -6.700090 -3.107624 1.790459 4.292951 4.652064 3.828318 2.444460\

1.198758 0.668143 0.853829 0.895334 -1.835228 -2.417850 -2.427389 -1.757071 0.375807 3.788319\

7.349865 8.943258 8.886649 2.748135 -1.441806 -3.999611 -6.161191 -3.877773 -1.360093 4.183623\

7.898053 5.050046 4.554912 3.161347 2.046478 1.027716 1.215996 0.074810 -4.635370 -5.294224\

-0.867092 -2.245888 0.109579 4.079693 8.017757 9.919051 8.188799 3.743801 -0.230497 -2.443498\

-4.060781 -2.444753 3.445106 3.649076 3.751918 4.391987 4.578970 3.696564 2.405382 0.067613\

-1.389883 -2.912733 -6.860547 -7.791026 -3.007585 -2.363625 -0.034895 4.700347 8.948153 10.844300\

8.880666 4.754196 0.783663 -1.533687 -1.227878 -3.458536 -3.548492 -0.712200 1.627199 3.253980\

3.823214 2.383541 -0.037865 -2.880768 -4.633320 -5.668525

C N XC1 C N 1 24 24\

-8.441471 -7.276185 -3.549998 -1.944388 2.374964 6.203910 9.440610 9.204507 7.990645 8.068258\

8.779455 1.687909 -7.093344 -12.134981 -10.499664 -6.597415 -2.714286 -0.632621 -1.181520 -3.094821\

-3.946558 -4.664491 -4.832855 -8.526239 -5.610953 -4.678465 -3.741249 -2.251703 0.507561 3.867815\

7.675632 8.204908 7.122967 7.110080 5.800865 -2.675752 -9.368143 -10.205864 -8.948739 -5.533549\

-1.769539 -0.399195 -0.930103 -2.387265 -2.633619 -3.237328 -2.938047 -5.659446 -1.276664 -2.101163\

-2.139865 -0.814290 0.838306 3.881580 7.269365 8.123864 6.947699 6.589089 3.932667 -1.275994\

-6.348509 -7.545718 -6.188178 -2.964322 0.535552 1.764309 1.143236 -0.535761 -1.065581 -1.095204\

-1.086334 -0.982654 0.923827 0.470867 -0.401580 -0.106566 1.525905 4.383326 7.450240 8.150139\

6.871216 6.187216 3.675226 0.030669 -3.281051 -4.796538 -3.817147 -0.551493 2.305928 3.865263\

5.375938 1.609334 0.756927 0.984412 0.885167 1.042653 4.059484 3.250926 0.476516 0.392878\

1.809413 5.331295 8.833763 9.888758 8.409087 6.849752 4.373410 1.551427 -0.986964 -3.054780\

-1.855018 5.306735 7.499904 5.109836 5.264560 4.729092 3.875430 7.623499 3.759575 3.812042\

7.154263 5.535390 1.398167 0.625257 4.878251 6.271649 13.350726 11.570392 10.380002 7.929433\

5.393636 2.588390 0.074350 -0.606429 0.937049 3.222977 4.486922 5.279539 5.683922 5.392967\

8.245367 6.204746 6.581641 7.752617 6.225792 4.741644 0.489110 1.216038 3.589203 7.421035\

10.844468 12.204937 10.134317 7.384049 7.515677 3.609997 0.430241 1.549042 3.622047 3.935847\

4.243831 5.067828 5.657563 5.440162 5.113434 5.661872 6.208679 7.073889 2.841313 2.414712\

0.104684 1.956857 5.874713 9.533328 14.622076 11.658298 8.175662 5.351336 2.318773 -0.093638\

5.049335 5.436271 6.382859 6.875818 7.396266 7.136649 7.023011 6.093996 4.580476 3.458034\

5.015947 3.149799 0.295934 1.279132 2.181789 5.727729 10.380462 13.955314 15.025748 12.057075\

7.400492 5.012390 1.358085 1.356536 3.987687 10.252223 9.941100 10.069758 11.193623 11.118938\

10.531463 8.991918 4.940300 1.637534 0.000000 0.319239 0.170456 6.460891 8.218045 13.111066\

18.057098 20.730758 18.609386 13.034750 6.297255 3.017710 3.340757 5.600786 10.136033 13.568294\

13.060523 14.025856 15.834599 16.704243 16.022084 11.761224 5.243514 0.694084 -1.182398 -0.542958\

4.722230 16.323039 19.389744 24.158542 26.425182 24.956305 20.570301 13.253992 9.496550 7.282670\

9.513579 12.467525 14.700861 13.348341 13.961046 17.572465 21.855626 24.583008 20.345788 12.268994\

5.011804 1.192733 0.616805 2.635920 15.564522 26.520828 22.409086 17.991033 17.851203 18.089608\

16.656671 13.951966 12.209456 14.778641 17.974297 18.896659 10.428578 7.989892 11.876912 19.392380\

20.832094 17.407323 14.220998 9.709809 6.230227 5.403176 6.706617 9.404712 25.139731 16.286094\

12.110170 10.670246 10.781373 13.002826 16.411363 16.807630 18.803022 21.697304 15.503896 9.966916\

8.426618 6.668501 12.761074 18.874484 13.547750 11.332406 10.847397 9.967585 10.050554 12.338030\

14.676342 19.030673 18.909044 10.499330 6.772766 5.226862 6.960084 15.324569 19.056279 22.912756\

25.671643 16.997165 11.942935 8.533017 8.476784 10.570918 15.152021 11.323619 8.262605 8.680545\

10.747817 12.700155 15.467369 17.002395 19.461207 23.255969 12.083978 2.208273 0.692494 1.115622\

6.628293 15.549083 23.603785 25.458803 20.320224 15.181267 11.983060 11.519849 12.942367 15.615232\

9.048653 6.980837 4.798295 10.888902 13.560511 19.485265 18.413156 19.546937 19.324306 16.571736\

7.072090 3.211220 -2.927921 -0.635340 9.302287 17.473974 23.141537 21.657556 17.831120 14.752449\

13.372859 17.554892 12.323930 4.652775 0.736802 0.236103 4.125215 9.354629 14.444130 16.237435\

16.587468 15.616864 13.753477 11.046973 6.186044 2.636715 -3.987478 -0.572957 6.458548 14.559692\

17.571043 16.968840 16.322119 13.308676 14.980101 10.989694 9.291953 -1.313190 -3.111055 -1.149721\

4.218560 9.188357 11.468679 12.035611 11.624784 11.091826 9.928130 8.039765 4.485876 2.789431\

-3.728990 -0.839310 4.309478 9.965828 12.195523 11.621646 10.392972 9.165429 8.426074 6.620385\

2.237896 -5.007328 -4.960634 -0.622663 4.119232 7.092131 7.749856 7.163175 6.572897 6.730884\

6.392650 5.989647 4.513490 4.376046 -2.306137 -1.187336 2.685249 6.401729 8.614312 6.702726\

7.101880 5.253891 4.295336 1.999283 -2.593243 -5.799986 -3.595939 1.418669 4.846411 5.661496\

4.853105 3.415985 3.183145 3.201680 3.740119 4.429852 6.071695 5.119333 0.754040 -0.938764\

1.640923 5.360332 7.946253 6.888663 5.696307 4.832018 2.908089 -0.144934 -3.374438 -4.353661\

-1.662973 2.695165 5.080589 5.665722 4.605915 2.985242 2.633744 3.015409 4.490562 5.682458\

6.101151 4.237974 1.277459 -0.488189 1.095831 7.583416 8.932254 9.426468 7.297691 5.193808\

3.147288 -0.004519 -2.293752 -2.972314 -0.339239 4.288684 6.028600 6.480221 5.651454 4.264751\

3.666146 4.590099 6.277339 7.285390 5.195356 2.934909 1.612514 1.048720 1.566741 5.564051\

9.329400 11.782855 9.163504 5.310458 2.412243 0.929601 -1.080016 -1.108969 2.714286 7.735672\

7.520614 7.256311 6.577457 5.067493 4.388807 4.841641 5.598945 6.624276 2.216892 1.554607\

1.394569 1.284614 2.960598 5.314182 9.790686 13.072280 11.524577 7.158950 3.238332 1.158968\

0.304428 1.275785 8.255074 12.833123 10.142811 8.026376 7.656594 6.662476 8.209552 4.511775\

2.438184 1.845228 -7.457185 -3.782336 -3.510585 0.027029 4.539849 8.356536 11.369894 10.262934\

7.804541 9.394335 4.697544 -3.182978 -4.717837 -6.181274 -4.594660 -4.605078 -0.501954 1.263317\

0.126189 -2.069197 -3.575144 -4.653612 -2.265050 -2.789808

C N XC2 C N 1 24 24\

-0.179201 0.759856 4.411568 4.334038 5.562000 7.543710 10.025826 12.272885 14.041086 14.969390\

14.682242 7.031338 -1.639249 -3.904258 -2.684915 0.479235 3.730831 5.001010 4.476462 2.937879\

1.903051 0.546932 -0.932153 -2.683701 -3.725475 -0.979433 2.475171 2.332622 3.487029 5.943163\

9.277351 13.312860 14.489987 14.611574 11.481984 2.207813 -4.156469 -5.279413 -3.454310 -0.013138\

3.733258 5.580201 6.048432 5.158244 3.460503 1.100727 -0.864833 -3.241554 -3.260633 -0.910982\

1.206247 0.365598 3.711961 3.985762 7.836506 13.024834 13.102782 14.155936 7.338945 0.302085\

-4.589262 -5.431920 -3.821164 -0.130122 3.473180 5.548110 6.128347 5.371712 2.840978 0.976838\

-1.168968 -2.915997 -2.124886 -0.426642 0.292169 -0.737932 0.282964 3.335778 9.575921 10.271302\

12.296860 13.851467 6.995397 0.459194 -3.550040 -4.124252 0.154180 -0.027489 3.156493 5.284350\

6.139309 5.672500 3.404604 4.163331 -0.303340 -2.022755 0.444215 3.751082 4.245588 2.153254\

1.238338 4.088479 7.787219 11.285168 13.634108 12.968643 8.299382 2.576591 -1.132692 -2.485338\

-1.401891 1.435070 3.960909 5.800363 6.954645 7.126189 5.640576 6.905190 2.629435 1.000980\

3.049676 2.940766 2.095180 3.505857 2.440151 5.762205 9.888549 13.225331 15.251391 14.488648\

10.114151 4.663863 0.461914 -0.748183 0.831947 3.975344 4.927539 6.355078 7.694041 8.474441\

10.556399 6.477209 5.382005 3.941495 1.882214 3.520083 4.298851 1.874934 3.570877 6.949582\

12.883289 13.795568 15.390635 14.314050 9.669140 4.112077 0.396057 0.823369 3.612800 4.217305\

5.557691 8.395322 7.777177 8.862842 8.217083 6.925524 5.133684 3.750370 -0.673289 -0.326394\

1.537285 2.973945 5.754632 8.695147 11.669176 13.635865 14.446557 12.051510 7.130164 2.794243\

2.215930 3.817733 6.096925 7.147402 8.231016 8.605944 9.420360 11.267512 7.861527 5.457484\

2.833907 0.685046 -2.489354 -0.657139 3.663176 6.323237 9.365926 12.538569 15.488457 18.174961\

13.033620 10.138962 6.068683 3.700371 4.928417 7.564756 7.925668 9.462242 11.601521 12.736598\

13.307798 12.664466 11.490226 3.291385 0.000000 -1.641592 -1.502725 1.644940 8.076584 11.784738\

15.306202 17.475438 17.550416 18.384161 12.355519 9.351240 7.729187 7.698978 10.053190 10.004864\

10.076578 11.868209 14.777009 17.365566 18.089357 14.951775 8.507495 1.614062 -1.080058 -2.008738\

3.775265 8.746945 15.692761 18.488678 21.812405 22.939324 20.128262 18.561647 13.900210 13.133618\

13.443234 14.595466 13.167257 11.149649 11.074002 14.246185 19.448404 22.842046 22.752843 15.776692\

7.890731 2.488727 1.345198 1.963342 11.908626 21.997380 20.476622 17.415272 17.491547 17.819865\

18.404621 17.993836 17.873881 27.280935 21.321873 17.501505 12.033017 12.086070 12.501876 18.270105\

24.987350 22.473770 19.457818 14.289448 8.872256 7.143343 8.030309 9.299944 21.277188 16.073840\

10.808318 8.598831 8.782760 11.584659 17.049800 21.399570 25.286422 28.465677 17.952205 9.390528\

7.949433 6.245415 11.940843 17.821162 15.402517 13.229724 13.293070 13.311270 12.804086 13.051528\

15.047798 17.022353 12.379410 7.763956 3.163062 0.499402 2.616841 9.060494 17.947519 25.638506\

28.617137 19.621830 11.963186 6.422984 4.039150 7.418734 11.254625 9.699140 6.150606 9.103924\

10.196701 14.469360 16.525461 17.837229 18.496460 16.425966 6.341145 2.855413 -1.641383 -3.526150\

0.190749 9.181830 19.787056 29.111435 22.594437 16.015473 9.124091 5.653588 5.483090 7.145310\

9.808928 3.138251 1.854181 4.997411 10.029006 14.390115 19.148118 16.727423 16.360863 9.986664\

4.374246 1.286580 -2.841145 -3.982331 1.295785 10.963252 20.670048 23.571401 20.539130 15.244990\

9.762946 6.691555 9.557260 8.164825 3.405148 0.757639 1.767782 5.714842 10.582466 13.787954\

14.883367 13.893223 10.683342 7.341121 2.535839 1.699792 -2.871647 -2.775164 2.749934 11.630976\

19.353218 22.211601 19.697100 14.978427 9.564959 6.284159 4.488679 2.135388 0.088157 0.184012\

3.269043 7.581115 11.096930 12.761367 13.787912 9.489689 5.382339 3.443516 0.928179 -0.359029\

-2.155513 -1.306161 3.399123 10.401842 16.913443 18.639469 16.765957 11.929086 6.582311 2.935704\

-0.094056 -1.663558 -1.538875 2.182793 6.389094 9.725582 10.272975 9.748678 5.982702 2.186056\

1.380051 -0.945584 -3.556233 -1.482266 -2.346429 -2.732110 -1.500048 1.321475 5.138621 8.528247\

8.781463 5.772748 0.658018 -4.075174 -6.727998 -5.295563 -1.288003 3.637193 7.648770 8.330762\

6.303740 6.542395 -0.516013 -3.426361 -5.687897 -6.028475 -2.994112 -2.036604 -3.801833 -4.403744\

-3.201137 -1.070769 8.054116 5.826178 6.143995 3.071056 -2.255427 -6.371228 -8.219635 -6.621933\

-3.201095 1.431848 7.056358 5.759360 4.598467 1.185536 -1.464693 1.527327 -4.944233 -4.585162\

-2.010119 -1.627325 -3.734053 -4.200652 -3.053358 5.154855 9.054887 12.700239 14.132339 3.458955\

-1.276246 -5.274894 -7.005229 -6.054959 -2.986748 5.225816 8.731924 8.995516 7.692410 2.472033\

0.362376 -1.308630 -1.485864 -1.718201 -2.887127 -2.141957 -1.378837 -2.903696 -0.312294 3.885723\

8.446450 11.958332 11.595036 7.909015 2.771565 -0.326729 -0.444132 -1.629459 3.560751 8.145369\

7.259826 8.088634 7.737429 6.122322 4.641479 2.386303 2.103380 1.755481 -5.244393 -5.024440\

-4.711812 -4.390020 -3.990867 -3.876267 -2.925369 -3.350673 -3.714890 -4.692607 -5.261547 -5.325437\

-4.638424 -5.197448 -5.410707 -5.065987 -5.150964 -5.276526 -5.354348 -5.394348 -5.226025 -5.190378\

-5.147408 -5.281882 -3.388956 -0.123386 2.767381 2.460987 3.769617 7.675464 9.850308 11.243287\

11.023920 10.759993 9.699851 8.006042 4.135633 -1.414401 -1.659751 0.984286 3.479331 3.578450\

2.446427 0.465135 -0.924287 -1.329131 -1.264907 -2.258398

C N XC3 C N 1 24 24\

-1.349089 0.531201 2.777088 4.042957 6.181567 8.936062 13.842220 14.180120 15.829202 15.132566\

12.708607 10.970825 2.495212 -0.374133 0.572915 3.427240 5.874629 7.931441 8.487621 7.479611\

5.285187 3.124569 1.070978 -0.769103 -0.569610 1.292479 3.103231 3.890492 5.583255 7.891735\

11.181698 14.392751 15.737823 15.852632 15.920078 6.368927 -0.239869 -1.425321 2.524082 2.704956\

6.049980 8.248379 8.740836 8.047757 6.306543 3.755475 1.531721 0.240036 -0.072132 1.669542\

3.458787 3.523137 4.511021 8.943886 10.195320 16.524415 15.636194 15.863259 11.746664 3.989277\

-0.684795 -1.777363 -0.283550 2.523245 5.922745 8.337792 12.417233 8.239133 6.190730 4.327888\

2.487681 0.540196 1.948489 3.628616 4.113541 3.388454 4.128185 6.692517 10.086745 13.419218\

15.268880 15.194112 10.348496 3.571253 -0.586388 -1.377917 -0.364092 2.463414 8.687197 8.294822\

9.295928 8.492097 7.116858 5.042055 6.165082 2.001877 5.484387 4.682900 4.468596 3.323979\

4.350105 6.474824 9.828844 13.029394 15.193234 14.998929 9.744076 3.644724 -0.491620 -1.751757\

-0.698059 2.067775 8.827612 7.285097 8.624814 8.431806 7.865083 6.004333 4.728213 3.449708\

3.367953 3.777943 3.560040 4.155507 5.380708 7.806633 9.676253 12.873038 14.851066 14.335807\

9.517303 3.945219 -0.323674 -1.370009 0.065563 2.538558 4.210652 5.804882 7.741655 8.257877\

8.171980 6.572980 5.699905 4.291529 1.670336 1.924849 1.932046 1.811714 3.010555 5.890570\

9.434502 12.980400 14.857970 13.432983 8.842382 2.905579 -0.667474 -0.387480 2.095054 6.992050\

3.859740 5.080171 7.114892 8.135997 7.765295 6.496162 5.232510 3.113900 -0.967717 -0.384802\

1.163738 2.830183 5.230586 7.973449 10.443348 12.635387 13.386290 11.350020 6.445494 1.634772\

0.062007 2.587678 3.841540 4.804362 6.277423 7.371246 8.241978 9.084510 9.706922 5.095066\

2.759641 0.616303 -2.802862 -0.809646 2.833363 6.179726 9.378771 12.021469 13.234745 13.296710\

11.972767 9.128233 4.896284 2.342371 3.446863 6.003538 6.687413 7.876338 9.878215 10.955720\

11.900509 11.247429 7.628645 2.866375 0.000000 -1.886607 -1.507997 2.223963 8.155913 12.059208\

14.910856 16.702151 16.276639 14.220830 11.352489 8.813847 6.368215 6.294451 8.575777 8.227501\

8.474776 10.055491 12.869273 15.383062 17.207160 14.773746 11.181238 1.183988 -1.363900 -2.149823\

3.837481 9.362118 15.910078 18.463699 21.056817 20.992341 22.904848 14.437394 12.380707 12.188871\

12.487943 12.650826 10.335944 8.891795 8.833261 12.000800 16.700227 21.446180 21.851609 15.490088\

7.441035 1.918322 1.153487 1.896398 11.518929 18.710179 19.568401 16.904783 16.255802 15.854055\

15.255366 15.549752 16.318520 18.080654 18.842728 12.965003 7.285892 8.235786 7.462373 14.191166\

21.821819 20.441350 17.452343 12.502503 7.978051 6.362818 6.849710 8.384276 19.277906 17.314647\

11.986783 9.353458 8.617283 10.905554 14.935625 19.947555 22.164112 24.226029 19.002682 7.173301\

5.378574 3.536610 8.781881 15.669206 14.841987 12.332047 12.383050 11.563530 11.208518 11.435667\

12.514930 14.136355 12.612208 8.917903 4.482863 1.913301 2.993861 8.928028 16.393330 23.100282\

27.478336 19.470453 11.057475 7.633415 3.126159 6.211357 10.006454 9.397515 6.082490 6.962260\

10.305694 13.082866 14.856673 15.685942 16.877503 17.028043 5.900486 2.394671 -1.327039 -2.579562\

0.797387 9.212122 19.529155 26.222300 22.307791 15.856481 9.176767 5.253389 4.979378 6.528714\

5.587439 2.291953 1.510591 5.030800 10.217663 14.753412 16.754661 17.476024 14.073386 9.576088\

3.475272 0.625759 -2.929679 -3.655017 1.210013 10.608950 19.787642 22.651967 19.430580 14.477058\

15.271474 5.922452 4.999420 4.355377 1.115496 -0.788433 1.062610 5.318450 10.931244 14.111544\

21.477016 12.990525 9.485588 5.842663 2.053382 0.129286 -2.699308 -2.630188 2.420946 10.335652\

18.198141 20.172068 18.055048 13.536914 8.557786 4.982098 3.137498 0.127068 -1.534105 -1.062192\

2.665626 6.723855 10.981661 12.375728 11.030321 8.374987 4.304332 2.630690 0.985960 2.830853\

-1.397163 -0.381748 5.434347 9.950263 17.001307 17.363558 15.537577 10.881287 5.825174 2.296054\

-1.206833 -2.922733 -2.444879 1.994136 6.175124 8.850917 9.666546 8.803429 6.428967 1.645484\

-1.385866 -1.397456 0.752492 4.224083 0.468901 1.194448 4.239187 8.412643 12.441333 14.081921\

11.377133 6.529006 1.209678 -3.554685 -5.527064 -4.625161 -0.659147 5.311462 9.930306 10.310715\

10.008588 4.504955 0.731698 -2.137438 -4.234919 -0.437312 1.276748 0.724209 -0.624044 -0.025773\

2.822443 9.321994 10.909780 13.427251 11.792102 6.522061 -0.139871 -2.983945 -6.331856 -5.131634\

-0.872782 5.621790 14.786884 9.751230 7.819854 4.192996 1.520800 -1.017047 -2.427933 -1.265702\

0.667390 1.053699 -1.287835 -0.765756 2.036102 6.131903 10.379876 13.891131 13.565365 8.266329\

3.942834 -3.693886 -5.048665 -3.469038 0.508607 6.914395 9.530064 9.979844 8.693432 8.703933\

4.326549 1.826693 -0.367941 -1.449045 -1.841127 -2.141246 -1.370386 0.465093 1.507244 5.461040\

9.659433 13.142488 13.390139 9.661693 3.654766 -0.938890 -2.648639 -0.920020 3.917647 6.434741\

7.084140 8.555778 8.885435 7.508565 5.499491 2.989091 0.353464 -2.528182 -3.691167 -2.000078\

-0.438232 -0.146231 2.252415 5.881993 9.737172 13.096882 12.863080 10.986389 6.212320 4.667168\

4.021996 3.857564 4.042037 4.042162 5.688399 7.449277 7.971901 7.452415 5.421711 2.097356\

-0.448692 -2.744118 -2.188734 -0.499821 1.098216 2.044051 4.701812 10.708906 11.384162 13.895692\

14.412081 13.356165 10.153982 7.080541 7.186397 1.745523 1.407079 3.313519 5.921029 7.782156\

8.159093 7.065102 4.747920 2.357056 0.122215 -1.674981

C N XC4 C N 1 24 24\

-3.627277 -1.122191 0.498022 1.516993 3.998774 7.007238 10.173647 10.893672 9.506215 7.556848\

6.145710 6.745989 -4.044380 -6.266377 -4.528720 -0.417270 2.861856 4.103207 3.128419 0.861276\

-1.867194 -3.956767 -4.495917 -4.339226 -1.365909 0.780483 2.567804 2.807297 4.238559 7.069203\

10.839238 11.270859 10.991828 9.552700 6.521768 -0.508314 -5.099668 -6.042658 -4.058522 -0.224639\

3.380505 4.720975 3.521171 1.738034 -0.235057 -2.022253 -2.395047 -2.050913 -0.011297 1.855562\

2.833405 2.924909 4.020740 6.352442 9.703616 10.868609 10.326740 8.788074 4.246509 -1.470174\

-4.438304 -2.149697 -2.889638 0.560865 3.964926 5.231841 4.430689 2.962565 5.353637 0.020000\

-0.621784 -0.552246 1.956982 4.440144 3.520878 3.653511 6.425662 9.485839 9.555377 10.942541\

10.389834 8.788994 4.179314 -0.678477 -2.967586 -2.956122 -1.226121 1.709373 5.072849 6.605616\

6.106674 4.823901 3.095825 1.875687 2.170952 1.784141 4.529766 5.105819 4.243915 3.886225\

5.011470 7.945793 11.025551 12.216820 11.358849 9.025390 4.764321 0.458985 -1.477747 -1.906858\

-0.306018 2.999761 5.854797 7.120750 7.389446 6.468590 5.393469 4.023627 4.418011 4.179272\

5.392590 4.548803 5.251297 2.591779 4.497382 8.106877 13.355621 12.782162 11.925404 9.423540\

5.391293 1.268547 -1.363147 -1.419799 3.946767 4.242199 5.721285 6.501852 7.041295 7.108742\

6.647456 5.676433 5.780907 5.815091 4.120487 3.225529 2.438979 3.148627 5.571289 9.166893\

12.441584 13.871215 12.479240 9.798133 7.036986 0.872782 -0.791613 0.632997 4.072998 4.955446\

5.903080 9.132124 7.283675 7.697598 10.432260 5.890319 5.433844 5.155943 2.029031 2.149530\

3.017417 4.856411 8.515109 11.551396 13.965397 13.962594 13.467501 8.006000 2.998003 -0.253006\

0.239408 3.995678 6.588252 8.277877 9.232791 9.445506 9.047482 8.580631 6.122782 3.881204\

2.675668 2.195094 0.332795 1.869411 4.285420 8.452349 12.520411 15.607450 16.354043 14.069537\

9.831563 5.078707 1.325324 0.931317 3.639996 7.280871 11.111658 10.724178 12.336357 12.752832\

12.232426 10.621419 6.401855 1.840960 0.000000 -0.032175 1.045707 4.581145 9.103003 14.356643\

18.851681 21.158237 19.436605 14.679480 9.012043 5.333094 4.060195 5.647856 8.841754 9.646128\

10.739617 13.061737 15.548413 17.390336 16.820475 13.028181 6.305372 2.171998 -0.844959 -0.360452\

6.400600 11.814403 17.240674 21.317062 25.757039 25.446084 21.063135 14.752658 9.830685 9.142626\

10.239545 11.941094 11.060237 10.128711 11.368556 15.408124 20.056088 23.711774 21.260452 13.353278\

5.621162 1.047757 1.536156 3.470795 14.638854 21.356349 20.094957 19.022598 19.610575 19.501540\

18.311820 15.412308 14.206144 16.548473 16.578472 11.963311 9.257016 9.223754 10.616314 18.049609\

23.100282 19.648733 15.847109 10.937980 6.370600 5.649153 7.324008 10.615101 23.668135 17.374855\

14.025981 12.562920 12.907640 14.833242 17.424686 19.364933 21.496513 20.969246 12.637939 6.154497\

5.728482 5.708273 12.224016 25.467297 15.862548 13.677538 16.218356 13.185374 10.735558 12.403175\

14.728768 20.208929 19.024732 12.995211 9.043549 7.493837 8.822884 14.551785 20.400933 24.795430\

25.181237 17.258289 9.510818 7.749186 5.887097 9.689056 15.191393 13.738080 10.392847 10.104946\

12.267906 14.922822 16.034343 17.283184 19.326524 21.798640 10.644222 7.068952 4.080279 3.699200\

8.479713 16.819596 24.398117 27.170854 22.823762 16.875829 11.421525 12.728523 10.199086 12.450998\

11.435416 7.254177 6.510932 9.627886 16.177729 18.267344 19.152134 20.012574 19.340582 15.285449\

5.819693 3.377743 1.229259 2.244925 8.967442 18.215630 23.604538 23.132123 20.134538 16.295592\

12.641454 10.751248 9.912022 8.032025 4.375795 2.579185 5.302718 10.376697 14.699229 17.361382\

16.666964 15.042024 12.376481 8.582932 2.488099 1.117212 -0.004937 1.436702 8.182607 15.534439\

18.055550 17.861580 16.459103 15.913175 10.251302 7.563375 5.166612 1.201143 -0.691992 0.477311\

4.639721 9.076728 13.705236 12.160503 11.156008 9.731691 6.832932 4.365251 -0.004226 -0.304512\

-0.637976 1.670922 5.668358 10.823841 12.067660 12.214016 11.259897 8.734184 5.452505 2.256055\

-1.968154 -4.421986 -3.529162 0.313591 4.749175 7.990227 6.710467 6.362232 4.990843 3.457156\

2.079113 0.784458 2.203002 -0.046735 0.048953 1.465195 4.150863 7.031254 7.746467 7.172004\

5.805467 3.809072 1.037799 -3.083566 -6.320727 -6.441812 -3.020974 1.803304 4.938208 5.180210\

4.071911 2.908926 1.230473 -0.176439 -0.530866 -0.756342 1.746318 1.792007 1.062527 1.743473\

3.544057 6.459176 7.959725 7.339949 5.834965 3.680665 -0.826675 -5.006658 -6.935608 -5.923749\

-2.389482 2.408101 5.445936 5.770196 4.824612 3.058337 0.771028 0.499653 0.503126 0.970060\

2.136183 1.998571 1.269384 1.663056 3.538409 6.498882 9.583243 9.998086 8.045037 4.422614\

1.416033 -3.957604 -5.888311 -5.115651 -1.188089 3.832293 5.978476 6.174747 5.655806 5.748649\

2.226474 2.255092 2.572742 2.696588 -1.036000 -1.348336 -0.830482 -0.375932 4.267554 5.881867\

9.232331 10.472134 8.028176 3.508661 -0.890146 -4.102328 -6.052198 -5.013311 0.036359 5.250209\

5.993287 6.964101 6.844731 3.646356 2.225553 1.625358 1.330638 0.245475 -2.122836 -6.081988\

-3.313310 0.485009 0.993407 5.313973 9.323207 14.351873 8.534983 3.471967 -1.180055 -1.285157\

-5.359620 -1.982630 3.726647 4.530100 4.974776 5.444388 5.049795 3.784051 1.994973 -0.725087\

-2.618096 -4.548970 -6.788749 -8.206330 -3.511757 -2.736587 0.494884 5.967388 10.632381 12.152302\

9.406720 7.803369 -0.792031 -3.586860 -3.669075 -4.435082 -4.865448 1.958781 1.638245 7.557057\

4.780346 3.338037 0.205393 -1.694436 -5.328826 -5.716808