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dplus-api / helper_files / Dplus_FF.csv
Size: Mime:
0.493,10.5109,0.3229,26.1257,0.1402,3.1424,0.0408,57.7998,0.003, H
0.8734,9.1037,0.6309,3.3568,0.3112,22.9276,0.178,0.9821,0.0064, He
1.1282,3.9546,0.7508,1.0524,0.6175,85.3905,0.4653,168.261,0.0377, Li
0.6968,4.6237,0.7888,1.9557,0.3414,0.6316,0.1563,10.0953,0.0167, Li+1
1.5919,43.6427,1.1278,1.8623,0.5391,103.483,0.7029,0.542,0.0385, Be
6.2603,0.0027,0.8849,0.9313,0.7993,2.2758,0.1647,5.1146,-6.1092, Be+2
2.0545,23.2185,1.3326,1.021,1.0979,60.3498,0.7068,0.1403,-0.1932, B
2.31,20.8439,1.02,10.2075,1.5886,0.5687,0.865,51.6512,0.2156, C
12.2126,0.0057,3.1322,9.8933,2.0125,28.9975,1.1663,0.5826,-11.529, N
3.0485,13.2771,2.2868,5.7011,1.5463,0.3239,0.867,32.9089,0.2508, O
4.1916,12.8573,1.63969,4.17236,1.52673,47.0179,-20.307,-0.01404,21.9412, O-1
3.5392,10.2825,2.6412,4.2944,1.517,0.2615,1.0243,26.1476,0.2776, F
3.6322,5.27756,3.51057,14.7353,1.26064,0.442258,0.940706,47.3437,0.653396, F-1
3.9553,8.4042,3.1125,3.4262,1.4546,0.2306,1.1251,21.7184,0.3515, Ne
4.7626,3.285,3.1736,8.8422,1.2674,0.3136,1.1128,129.424,0.676, Na
3.2565,2.6671,3.9362,6.1153,1.3998,0.2001,1.0032,14.039,0.404, Na+1
5.4204,2.8275,2.1735,79.2611,1.2269,0.3808,2.3073,7.1937,0.8584, Mg
3.4988,2.1676,3.8378,4.7542,1.3284,0.185,0.8497,10.1411,0.4853, Mg+2
6.4202,3.0387,1.9002,0.7426,1.5936,31.5472,1.9646,85.0886,1.1151, Al
4.17448,1.93816,3.3876,4.14553,1.20296,0.228753,0.528137,8.28524,0.706786, Al+3
6.2915,2.4386,3.0353,32.3337,1.9891,0.6785,1.541,81.6937,1.1407, Si_v
4.43918,1.64167,3.20345,3.43757,1.19453,0.2149,0.41653,6.65365,0.746297, Si+4
6.4345,1.9067,4.1791,27.157,1.78,0.526,1.4908,68.1645,1.1149, P
6.9053,1.4679,5.2034,22.2151,1.4379,0.2536,1.5863,56.172,0.8669, S
11.4604,0.0104,7.1964,1.1662,6.2556,18.5194,1.6455,47.7784,-9.5574, Cl
18.2915,0.0066,7.4084,1.1717,6.5337,19.5424,2.3386,60.4486,-16.378, Cl-1
7.4845,0.9072,6.7723,14.8407,0.6539,43.8983,1.6442,33.3929,1.4445,Ar
8.2186,12.7949,7.4398,0.7748,1.0519,213.187,0.8659,41.6841,1.4228,K
7.9578,12.6331,7.4917,0.7674,6.359,-0.002,1.1915,31.9128,-4.9978,K+1
8.6266,10.4421,7.3873,0.6599,1.5899,85.7484,1.0211,178.437,1.3751,Ca
15.6348,-0.0074,7.9518,0.6089,8.4372,10.3116,0.8537,25.9905,-14.875,Ca+2
9.189,9.0213,7.3679,0.5729,1.6409,136.108,1.468,51.3531,1.3329,Sc
13.4008,0.29854,8.0273,7.9629,1.65943,-0.28604,1.57936,16.0662,-6.6667,Sc+3
9.7595,7.8508,7.3558,0.5,1.6991,35.6338,1.9021,116.105,1.2807,Ti
9.11423,7.5243,7.62174,0.457585,2.2793,19.5361,0.087899,61.6558,0.897155,Ti+2
17.7344,0.22061,8.73816,7.04716,5.25691,-0.15762,1.92134,15.9768,-14.652,Ti+3
19.5114,0.178847,8.23473,6.67018,2.01341,-0.29263,1.5208,12.9464,-13.28,Ti+4
10.2971,6.8657,7.3511,0.4385,2.0703,26.8938,2.0571,102.478,1.2199,V
10.106,6.8818,7.3541,0.4409,2.2884,20.3004,0.0223,115.122,1.2298,V+2
9.43141,6.39535,7.7419,0.383349,2.15343,15.1908,0.016865,63.969,0.656565,V+3
15.6887,0.679003,8.14208,5.40135,2.03081,9.97278,-9.576,0.940464,1.7143,V+5
10.6406,6.1038,7.3537,0.392,3.324,20.2626,1.4922,98.7399,1.1832,Cr
9.54034,5.66078,7.7509,0.344261,3.58274,13.3075,0.509107,32.4224,0.616898,Cr+2
9.6809,5.59463,7.81136,0.334393,2.87603,12.8288,0.113575,32.8761,0.518275,Cr+3
11.2819,5.3409,7.3573,0.3432,3.0193,17.8674,2.2441,83.7543,1.0896,Mn
10.8061,5.2796,7.362,0.3435,3.5268,14.343,0.2184,41.3235,1.0874,Mn+2
9.84521,4.91797,7.87194,0.294393,3.56531,10.8171,0.323613,24.1281,0.393974,Mn+3
9.96253,4.8485,7.97057,0.283303,2.76067,10.4852,0.054447,27.573,0.251877,Mn+4
11.7695,4.7611,7.3573,0.3072,3.5222,15.3535,2.3045,76.8805,1.0369,Fe
11.0424,4.6538,7.374,0.3053,4.1346,12.0546,0.4399,31.2809,1.0097,Fe+2
11.1764,4.6147,7.3863,0.3005,3.3948,11.6729,0.0724,38.5566,0.9707, Fe+3
12.2841,4.2791,7.3409,0.2784,4.0034,13.5359,2.3488,71.1692,1.0118,Co
11.2296,4.1231,7.3883,0.2726,4.7393,10.2443,0.7108,25.6466,0.9324,Co+2
10.338,3.90969,7.88173,0.238668,4.76795,8.35583,0.725591,18.3491,0.286667,Co+3
12.8376,3.8785,7.292,0.2565,4.4438,12.1763,2.38,66.3421,1.0341,Ni
11.4166,3.6766,7.4005,0.2449,5.3442,8.873,0.9773,22.1626,0.8614,Ni+2
10.7806,3.5477,7.75868,0.22314,5.22746,7.64468,0.847114,16.9673,0.386044,Ni+3
13.338,3.5828,7.1676,0.247,5.6158,11.3966,1.6735,64.8126,1.191,Cu
11.9475,3.3669,7.3573,0.2274,6.2455,8.6625,1.5578,25.8487,0.89,Cu+1
11.8168,3.37484,7.11181,0.244078,5.78135,7.9876,1.14523,19.897,1.14431,Cu+2
14.0743,3.2655,7.0318,0.2333,5.1652,10.3163,2.41,58.7097,1.3041,Zn
11.9719,2.9946,7.3862,0.2031,6.4668,7.0826,1.394,18.0995,0.7807,Zn+2
15.2354,3.0669,6.7006,0.2412,4.3591,10.7805,2.9623,61.4135,1.7189,Ga
12.692,2.81262,6.69883,0.22789,6.06692,6.36441,1.0066,14.4122,1.53545,Ga+3
16.0816,2.8509,6.3747,0.2516,3.7068,11.4468,3.683,54.7625,2.1313,Ge
12.9172,2.53718,6.70003,0.205855,6.06791,5.47913,0.859041,11.603,1.45572,Ge+4
16.6723,2.6345,6.0701,0.2647,3.4313,12.9479,4.2779,47.7972,2.531,As
17.006,2.4098,5.8196,0.2726,3.9731,15.2372,4.35436,43.8163,2.8409,Se
17.1789,2.1723,5.2358,16.5796,5.6377,0.2609,3.9851,41.4328,2.9557,Br
17.1718,2.2059,6.3338,19.3345,5.5754,0.2871,3.7272,58.1535,3.1776,Br-1
17.3555,1.9384,6.7286,16.5623,5.5493,0.2261,3.5375,39.3972,2.825, Kr
17.1784,1.7888,9.6435,17.3151,5.1399,0.2748,1.5292,164.934,3.4873, Rb
17.5816,1.7139,7.6598,14.7957,5.8981,0.1603,2.7817,31.2087,2.0782,Rb+1
17.5663,1.5564,9.8184,14.0988,5.422,0.1664,2.6694,132.376,2.5064,Sr
18.0874,1.4907,8.1373,12.6963,2.5654,24.5651,-34.193,-0.0138,41.4025,Sr+2
17.776,1.4029,10.2946,12.8006,5.72629,0.125599,3.26588,104.354,1.91213,Y
17.9268,1.35417,9.1531,11.2145,1.76795,22.6599,-33.108,-0.01319,40.2602,Y+3
17.8765,1.27618,10.948,11.916,5.41732,0.117622,3.65721,87.6627,2.06929,Zr
18.1668,1.2148,10.0562,10.1483,1.01118,21.6054,-2.6479,-0.10276,9.41454,Zr+4
17.6142,1.18865,12.0144,11.766,4.04183,0.204785,3.53346,69.7957,3.75591,Nb
19.8812,0.019175,18.0653,1.13305,11.0177,10.1621,1.94715,28.3389,-12.912,Nb+3
17.9163,1.12446,13.3417,0.028781,10.799,9.28206,0.337905,25.7228,-6.3934,Nb+5
3.7025,0.2772,17.2356,1.0958,12.8876,11.004,3.7429,61.6584,4.3875,Mo
21.1664,0.014734,18.2017,1.03031,11.7423,9.53659,2.30951,26.6307,-14.421,Mo+3
21.0149,0.014345,18.0992,1.02238,11.4632,8.78809,0.740625,23.3452,-14.316,Mo+5
17.8871,1.03649,11.175,8.48061,6.57891,0.058881,0,0,0.344941,Mo+6
19.1301,0.864132,11.0948,8.14487,4.64901,21.5707,2.71263,86.8472,5.40428,Tc
19.2674,0.80852,12.9182,8.43467,4.86337,24.7997,1.56756,94.2928,5.37874,Ru
18.5638,0.847329,13.2885,8.37164,9.32602,0.017662,3.00964,22.887,-3.1892,Ru+3
18.5003,0.844582,13.1787,8.12534,4.71304,0.036495,2.18535,20.8504,1.42357,Ru+4
19.2957,0.751536,14.3501,8.21758,4.73425,25.8749,1.28918,98.6062,5.328,Rh
18.8785,0.764252,14.1259,7.84438,3.32515,21.2487,-6.1989,-0.01036,11.8678,Rh+3
18.8545,0.760825,13.9806,7.62436,2.53464,19.3317,-5.6526,-0.0102,11.2835,Rh+4
19.3319,0.69866,15.5017,7.98939,5.29537,25.2052,0.60584,76.8986,5.26593,Pd
19.1701,0.696219,15.2096,7.55573,4.32234,22.5057,0,0,5.2916,Pd+2
19.2493,0.683839,14.79,7.14833,2.89289,17.9144,-7.9492,0.005127,13.0174,Pd+4
19.2808,0.6446,16.6885,7.4726,4.8045,24.6605,1.0463,99.8156,5.179,Ag
19.1812,0.646179,15.9719,7.19123,5.27475,21.7326,0.357534,66.1147,5.21572,Ag+1
19.1643,0.645643,16.2456,7.18544,4.3709,21.4072,0,0,5.21404,Ag+2
19.2214,0.5946,17.6444,6.9089,4.461,24.7008,1.6029,87.4825,5.0694,Cd
19.1514,0.597922,17.2535,6.80639,4.47128,20.2521,0,0,5.11937,Cd+2
19.1624,0.5476,18.5596,6.3776,4.2948,25.8499,2.0396,92.8029,4.9391,In
19.1045,0.551522,18.1108,6.3247,3.78897,17.3595,0,0,4.99635,In+3
19.1889,5.8303,19.1005,0.5031,4.4585,26.8909,2.4663,83.9571,4.7821,Sn
19.1094,0.5036,19.0548,5.8378,4.5648,23.3752,0.487,62.2061,4.7861,Sn+2
18.9333,5.764,19.7131,0.4655,3.4182,14.0049,0.0193,-0.7583,3.9182,Sn+4
19.6418,5.3034,19.0455,0.4607,5.0371,27.9074,2.6827,75.2825,4.5909,Sb
18.9755,0.467196,18.933,5.22126,5.10789,19.5902,0.288753,55.5113,4.69626,Sb+3
19.8685,5.44853,19.0302,0.467973,2.41253,14.1259,0,0,4.69263,Sb+5
19.9644,4.81742,19.0138,0.420885,6.14487,28.5284,2.5239,70.8403,4.352,Te
20.1472,4.347,18.9949,0.2314,7.5138,27.766,2.2735,66.8776,4.07121,I
20.2332,4.3579,18.997,0.3815,7.8069,29.5259,2.8868,84.9304,4.0714,I-1
20.2933,3.9282,19.0298,0.344,8.9767,26.4659,1.99,64.2658,3.7118,Xe
20.3892,3.569,19.1062,0.3107,10.662,24.3879,1.4953,213.904,3.3352,//Cs
20.3524,3.552,19.1278,0.3086,10.2821,23.7128,0.9615,59.4565,3.2791,Cs+1
20.3361,3.216,19.297,0.2756,10.888,20.2073,2.6959,167.202,2.7731,Ba
20.1807,3.21367,19.1136,0.28331,10.9054,20.0558,0.77634,51.746,3.02902,Ba+2
20.578,2.94817,19.599,0.244475,11.3727,18.7726,3.28719,133.124,2.14678,La
20.2489,2.9207,19.3763,0.250698,11.6323,17.8211,0.336048,54.9453,2.4086,La+3
21.1671,2.81219,19.7695,0.226836,11.8513,17.6083,3.33049,127.113,1.86264,Ce
20.8036,2.77691,19.559,0.23154,11.9369,16.5408,0.612376,43.1692,2.09013,Ce+3
20.3235,2.65941,19.8186,0.21885,12.1233,15.7992,0.144583,62.2355,1.5918,Ce+4
22.044,2.77393,19.6697,0.222087,12.3856,16.7669,2.82428,143.644,2.0583,Pr
21.3727,2.6452,19.7491,0.214299,12.1329,15.323,0.97518,36.4065,1.77132,Pr+3
20.9413,2.54467,20.0539,0.202481,12.4668,14.8137,0.296689,45.4643,1.24285,Pr+4
22.6845,2.66248,19.6847,0.210628,12.774,15.885,2.85137,137.903,1.98486,Nd
21.961,2.52722,19.9339,0.199237,12.12,14.1783,1.51031,30.8717,1.47588,Nd+3
23.3405,2.5627,19.6095,0.202088,13.1235,15.1009,2.87516,132.721,2.02876,Pm
22.5527,2.4174,20.1108,0.185769,12.0671,13.1275,2.07492,27.4491,1.19499,Pm+3
24.0042,2.47274,19.4258,0.19651,13.4396,14.3996,2.89604,128.007,2.20963,Sm
23.1504,2.31641,20.2599,0.174081,11.9202,12.1571,2.71488,24.8242,0.954586,Sm+3
24.6274,2.3879,19.0886,0.1942,13.7603,17.7546,2.9227,123.174,2.5745,Eu
24.0063,2.27783,19.9504,0.17353,11.8034,11.6096,3.87243,26.5156,1.36389,Eu+2
23.7497,2.22258,20.3745,0.16394,11.8509,11.311,3.26503,22.9966,0.759344,Eu+3
25.0709,2.25341,19.0798,0.181951,13.8518,12.9331,3.54545,101.398,2.4196,Gd
24.3466,2.1553,20.4208,0.15552,11.8708,10.5782,3.7149,21.7029,0.64509,Gd+3
25.8976,2.24256,18.2185,0.196143,14.3167,12.6648,2.95354,115.362,3.58324,Tb
24.9559,2.05601,20.3271,0.149525,12.2471,10.0499,3.773,21.2773,0.691967,Tb+3
26.507,2.1802,17.6383,0.202172,14.5596,12.1899,2.96577,111.874,4.29728,Dy
25.5395,1.9804,20.2861,0.143384,11.9812,9.34972,4.50073,19.581,0.68969,Dy+3
26.9049,2.07051,17.294,0.19794,14.5583,11.4407,3.63837,92.6566,4.56796,Ho
26.1296,1.91072,20.0994,0.139358,11.9788,8.80018,4.93676,18.5908,0.852795,Ho+3
27.6563,2.07356,16.4285,0.223545,14.9779,11.3604,2.98233,105.703,5.92046,Er
26.722,1.84659,19.7748,0.13729,12.1506,8.36225,5.17379,17.8974,1.17613,Er+3
28.1819,2.02859,15.8851,0.238849,15.1542,10.9975,2.98706,102.961,6.75621,Tm
27.3083,1.78711,19.332,0.136974,12.3339,7.96778,5.38348,17.2922,1.63929,Tm+3
28.6641,1.9889,15.4345,0.257119,15.3087,10.6647,2.98963,100.417,7.56672,Yb
28.1209,1.78503,17.6817,0.15997,13.3335,8.18304,5.14657,20.39,3.70983,Yb+2
27.8917,1.73272,18.7614,0.13879,12.6072,7.64412,5.47647,16.8153,2.26001,Yb+3
28.9476,1.90182,15.2208,9.98519,15.1,0.261033,3.71601,84.3298,7.97628,Lu
28.4628,1.68216,18.121,0.142292,12.8429,7.33727,5.59415,16.3535,2.97573,Lu+3
29.144,1.83262,15.1726,9.5999,14.7586,0.275116,4.30013,72.029,8.58154,Hf
28.8131,1.59136,18.4601,0.128903,12.7285,6.76232,5.59927,14.0366,2.39699,Hf+4
29.2024,1.77333,15.2293,9.37046,14.5135,0.295977,4.76492,63.3644,9.24354,Ta
29.1587,1.50711,18.8407,0.116741,12.8268,6.31524,5.38695,12.4244,1.78555,Ta+5
29.0818,1.72029,15.43,9.2259,14.4327,0.321703,5.11982,57.056,9.8875,W
29.4936,1.42755,19.3763,0.104621,13.0544,5.93667,5.06412,11.1972,1.01074,W+6
28.7621,1.67191,15.7189,9.09227,14.5564,0.3505,5.44174,52.0861,10.472,Re
28.1894,1.62903,16.155,8.97948,14.9305,0.38266,5.67589,48.1647,11.0005,Os
30.419,1.37113,15.2637,6.84706,14.7458,0.165191,5.06795,18.003,6.49804,Os+4
27.3049,1.59279,16.7296,8.86553,15.6115,0.41792,5.83377,45.0011,11.4722,Ir
30.4156,1.34323,15.862,7.10909,13.6145,0.204633,5.82008,20.3254,8.27903,Ir+3
30.7058,1.30923,15.5512,6.71983,14.2326,0.167252,5.53672,17.4911,6.96824,Ir+4
27.0059,1.51293,17.7639,8.81174,15.7131,0.424593,5.7837,38.6103,11.6883,Pt
29.8429,1.32927,16.7224,7.38979,13.2153,0.263297,6.35234,22.9426,9.85329,Pt+2
30.9612,1.24813,15.9829,6.60834,13.7348,0.16864,5.92034,16.9392,7.39534,Pt+4
16.8819,0.4611,18.5913,8.6216,25.5582,1.4826,5.86,36.3956,12.0658,Au
28.0109,1.35321,17.8204,7.7395,14.3359,0.356752,6.58077,26.4043,11.2299,Au+1
30.6886,1.2199,16.9029,6.82872,12.7801,0.212867,6.52354,18.659,9.0968,Au+3
20.6809,0.545,19.0417,8.4484,21.6575,1.5729,5.9676,38.3246,12.6089,Hg
25.0853,1.39507,18.4973,7.65105,16.8883,0.443378,6.48216,28.2262,12.0205,Hg+1
29.5641,1.21152,18.06,7.05639,12.8374,0.284738,6.89912,20.7482,10.6268,Hg+2
27.5446,0.65515,19.1584,8.70751,15.538,1.96347,5.52593,45.8149,13.1746,Tl
21.3985,1.4711,20.4723,0.517394,18.7478,7.43463,6.82847,28.8482,12.5258,Tl+1
30.8695,1.1008,18.3841,6.53852,11.9328,0.219074,7.00574,17.2114,9.8027,Tl+3
31.0617,0.6902,13.0637,2.3576,18.442,8.618,5.9696,47.2579,13.4118,Pb
21.7886,1.3366,19.5682,0.48838,19.1406,6.7727,7.01107,23.8132,12.4734,Pb+2
32.1244,1.00566,18.8003,6.10926,12.0175,0.147041,6.96886,14.714,8.08428,Pb+4
33.3689,0.704,12.951,2.9238,16.5877,8.7937,6.4692,48.0093,13.5782,Bi
21.8053,1.2356,19.5026,6.24149,19.1053,0.469999,7.10295,20.3185,12.4711,Bi+3
33.5364,0.91654,25.0946,0.039042,19.2497,5.71414,6.91555,12.8285,-6.7994,Bi+5
34.6726,0.700999,15.4733,3.55078,13.1138,9.55642,7.02588,47.0045,13.677,Po
35.3163,0.68587,19.0211,3.97458,9.49887,11.3824,7.42518,45.4715,13.7108,At
35.5631,0.6631,21.2816,4.0691,8.0037,14.0422,7.4433,44.2473,13.6905,Rn
35.9299,0.646453,23.0547,4.17619,12.1439,23.1052,2.11253,150.645,13.7247,Fr
35.763,0.616341,22.9064,3.87135,12.4739,19.9887,3.21097,142.325,13.6211,Ra
35.215,0.604909,21.67,3.5767,7.91342,12.601,7.65078,29.8436,13.5431,Ra+2
35.6597,0.589092,23.1032,3.65155,12.5977,18.599,4.08655,117.02,13.5266,Ac
35.1736,0.579689,22.1112,3.41437,8.19216,12.9187,7.05545,25.9443,13.4637,Ac+3
35.5645,0.563359,23.4219,3.46204,12.7473,17.8309,4.80703,99.1722,13.4314,Th
35.1007,0.555054,22.4418,3.24498,9.78554,13.4661,5.29444,23.9533,13.376, Th+4
35.8847,0.547751,23.2948,3.41519,14.1891,16.9235,4.17287,105.251,13.4287,Pa
36.0228,0.5293,23.4128,3.3253,14.9491,16.0927,4.188,100.613,13.3966,U
35.5747,0.52048,22.5259,3.12293,12.2165,12.7148,5.37073,26.3394,13.3092,U+3
35.3715,0.516598,22.5326,3.05053,12.0291,12.5723,4.7984,23.4582,13.2671,U+4
34.8509,0.507079,22.7584,2.8903,14.0099,13.1767,1.21457,25.2017,13.1665,U+6
36.1874,0.511929,23.5964,3.25396,15.6402,15.3622,4.1855,97.4908,13.3573,Np
35.7074,0.502322,22.613,3.03807,12.9898,12.1449,5.43227,25.4928,13.2544,Np+3
35.5103,0.498626,22.5787,2.96627,12.7766,11.9484,4.92159,22.7502,13.2116,Np+4
35.0136,0.48981,22.7286,2.81099,14.3884,12.33,1.75669,22.6581,13.113,Np+6
36.5254,0.499384,23.8083,3.26371,16.7707,14.9455,3.47947,105.98,13.3812,Pu
35.84,0.484938,22.7169,2.96118,13.5807,11.5331,5.66016,24.3992,13.1991,Pu+3
35.6493,0.481422,22.646,2.8902,13.3595,11.316,5.18831,21.8301,13.1555,Pu+4
35.1736,0.473204,22.7181,2.73848,14.7635,11.553,2.28678,20.9303,13.0582,Pu+6
36.6706,0.483629,24.0992,3.20647,17.3415,14.3136,3.49331,102.273,13.3592,Am
36.6488,0.465154,24.4096,3.08997,17.399,13.4346,4.21665,88.4834,13.2887,Cm
36.7881,0.451018,24.7736,3.04619,17.8919,12.8946,4.23284,86.003,13.2754,Bk
36.9185,0.437533,25.1995,3.00775,18.3317,12.4044,4.24391,83.7881,13.2674,Cf
# Modified form factors,,,,,,,,,
0.894937,55.7145,0.894429,4.03158,3.78824,24.8323,3.15E-06,956.628,1.42149,CH
1.61908,52.1451,2.27205,24.6589,2.1815,24.6587,0.0019254,152.165,1.92445, CH2
12.5735,38.7341,-0.456658,-6.28167,5.71547,54.955,-11.711,47.898,2.87762, CH3
0.00506991,108.256,2.03147,14.6199,1.82122,14.628,2.06506,35.4102,2.07168, NH
3.00872,28.3717,0.288137,63.9637,3.39248,3.51866,2.03511,28.3675,0.269952, NH2
0.294613,67.4408,6.48379,29.1576,5.67182,0.54735,6.57164,0.547493,-9.02757, NH3
-2.73406,22.1288,0.00966263,94.3428,6.64439,13.9044,2.67949,32.7607,2.39981, OH
-127.811,7.19935,62.5514,12.1591,160.747,1.88979,2.34822,55.952,-80.836, SH