Commit e083d135 authored by dundaryilmaz's avatar dundaryilmaz

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parent 93ef5846
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monomer 42
vector1 0.000 0.000 0.000
vector2 2.500 0.000 0.000
C 0.30 0.0000000000 0.0000000000 0.0000000000 1
C 0.06 7.2452669747 0.0000000000 0.0000000000 1
O -0.30 4.8225931587 0.7678812149 -1.0986701262 3
O -0.30 4.8777950637 0.4569867451 0.1914001631 3
C 0.30 4.6121371909 -4.0538713386 -1.9616692862 1
C 0.00 0.7789773280 -0.6261126640 -0.9723983254 1
C 0.00 3.7651367517 -3.4983280624 -1.0033670512 1
C -0.18 0.4342236346 1.1932113290 0.5772359547 1
C -0.18 5.8688417618 -3.4928516497 -2.1885069349 1
C -0.18 1.9921016935 -0.0592755135 -1.3710590468 1
C -0.18 4.1739049986 -2.3825539798 -0.2686139156 1
C -0.06 1.6479308523 1.7656268926 0.1843667244 1
C -0.06 6.2841715182 -2.3752441416 -1.4580648279 1
C -0.06 3.7106055410 2.0523038992 -2.7702859067 1
C -0.06 4.2045553716 3.0397953088 -0.5447479084 1
C -0.06 5.8709872609 -0.9506784809 1.8383989845 1
C -0.06 2.4506279308 1.1487535816 -0.8030323587 1
C -0.06 5.4419491323 -1.7993755550 -0.4788564464 1
C -0.06 3.7995768445 1.7295760639 -1.2662226513 1
C -0.06 5.8441495597 -0.5634911406 0.3472111632 1
H 0.06 -0.9394831867 -0.4403747950 0.3080539854 2
H 0.06 4.2940720144 -4.9181236246 -2.5303154027 2
H 0.06 0.4441140950 -1.5540655980 -1.4177114053 2
H 0.06 2.7883503099 -3.9311286711 -0.8298572472 2
H 0.06 -0.1708221802 1.6768318575 1.3334411503 2
H 0.06 6.5242672244 -3.9242067143 -2.9342721949 2
H 0.06 2.5779934298 -0.5725138121 -2.1224873862 2
H 0.06 3.4914932014 -1.9694489355 0.4628131755 2
H 0.06 1.9409984487 2.6884493411 0.6626361624 2
H 0.06 7.2647311577 -1.9767589477 -1.6724100786 2
H 0.06 3.4855740602 1.1461089129 -3.3698272138 2
H 0.06 2.9161774858 2.8057676126 -2.9630169665 2
H 0.06 4.6780114328 2.4568630803 -3.1391302213 2
H 0.06 4.3047745914 2.8824247625 0.5501760084 2
H 0.06 3.4540299240 3.8402347178 -0.7218305505 2
H 0.06 5.1861950418 3.3993054323 -0.9221215885 2
H 0.06 4.8791632839 -1.3068940946 2.1857805304 2
H 0.06 6.6156844127 -1.7557348397 2.0208247860 2
H 0.06 6.1405269764 -0.0719846686 2.4635661184 2
H 0.06 7.2996804291 0.3177920378 -1.0628805962 2
H 0.06 8.0365474586 -0.7581586075 0.1855281060 2
H 0.06 7.4682314787 0.8901906868 0.6269946064 2
HEADH 1 0 -0.8994 0.6512 0.0067 2
TAILH 2 0 2.1749 0.2380 0.0025 2
mer_width 8.8
merlength 8.52
CONNECTIONS
1 3 6 21 8
2 4 40 41 20 42
3 2 19 4
4 2 3 20
5 3 22 9 7
6 3 23 10 1
7 3 5 24 11
8 3 1 12 25
9 3 26 5 13
10 3 27 6 17
11 3 7 18 28
12 3 17 8 29
13 3 9 30 18
14 4 31 33 32 19
15 4 19 36 35 34
16 4 20 38 37 39
17 3 10 19 12
18 3 13 11 20
19 4 14 3 17 15
20 4 18 2 4 16
21 1 1
22 1 5
23 1 6
24 1 7
25 1 8
26 1 9
27 1 10
28 1 11
29 1 12
30 1 13
31 1 14
32 1 14
33 1 14
34 1 15
35 1 15
36 1 15
37 1 16
38 1 16
39 1 16
40 1 2
41 1 2
42 1 2
H 1 1
T 1 2
Simulation Box : 200.00 200.00 400.00
Simulation Box : 70.00 70.00 120.00
Monomer name : monomer
Number of atoms in monomer : 42
Base Vector - 1 : 0.0000 0.0000 0.0000
Base Vector - 2 : 2.5000 0.0000 0.0000
Head -0.8994 0.6512 0.0067
Tail 2.1749 0.2380 0.0025
CRYST1 70.000 70.000 120.000 90.00 90.00 90.00
ATOM 1 C 9.957 30.608 101.337 C
ATOM 2 C 54.360 33.185 102.991 C
ATOM 3 C 63.844 67.221 98.664 C
ATOM 4 C 61.950 21.274 105.880 C
ATOM 5 C 58.704 44.246 92.101 C
ATOM 6 C 42.888 18.412 97.790 C
ATOM 7 C 41.726 56.186 93.566 C
ATOM 8 C 34.324 10.535 99.558 C
ATOM 9 C 31.348 58.864 104.059 C
ATOM 10 C 61.695 1.043 107.504 C
ATOM 11 C 67.640 50.202 95.378 C
ATOM 12 C 29.303 3.103 95.540 C
ATOM 13 C 4.227 5.114 98.365 C
ATOM 14 C 43.536 10.423 102.249 C
ATOM 15 C 43.041 51.113 107.454 C
ATOM 16 C 61.005 59.507 106.705 C
ATOM 17 C 49.190 24.935 101.389 C
ATOM 18 C 9.120 52.076 104.167 C
ATOM 19 C 42.277 36.990 102.323 C
ATOM 20 C 52.757 64.448 98.459 C
TER
monomer 6 atoms polyethylene
vector1 0.000 0.000 0.000
vector2 2.500 0.000 0.000
C 0.0000 0.0000 0.0000 1
C 1.2574 0.8644 0.0090 1
H -0.0265 -0.6336 -0.9121 2
H -0.0266 -0.6524 0.8988 2
H 1.2472 1.5028 0.9193 2
H 1.2472 1.5216 -0.8879 2
HEADH 1 -0.8994 0.6512 0.0067 2
TAILH 2 2.1749 0.2380 0.0025 2
mer_width 3.0
C -0.12 0.0000 0.0000 0.0000 1
C -0.12 1.2574 0.8644 0.0090 1
H 0.06 -0.0265 -0.6336 -0.9121 2
H 0.06 -0.0266 -0.6524 0.8988 2
H 0.06 1.2472 1.5028 0.9193 2
H 0.06 1.2472 1.5216 -0.8879 2
HEADH 1 0.0 -0.8994 0.6512 0.0067 2
TAILH 2 0.0 2.1749 0.2380 0.0025 2
mer_width 2.0
merlength 2.52
CONNECTIONS
1 3 2 3 4
2 3 1 5 6
3 1 1
4 1 1
5 1 2
6 1 2
H 1 1
T 1 2
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