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path: root/cad/tests/AMBER_test_structures/mmp/AminoAcids/CYX_CYSTEINE-S-S-CYSTEINE.mmp
blob: 7be7cb02a877253b94092d9519dec68ec021de5c (plain)
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mmpformat 080327 required; 080529 preferred
kelvin 300
group (View Data)
info opengroup open = True
csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView) (1.000000, 0.000000, 0.000000, 0.000000) (9.547311) (0.000000, 0.000000, 0.000000) (1.000000)
csys (HomeView1) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView1) (0.965474, 0.127192, -0.200452, 0.107242) (9.547311) (0.000000, 0.000000, 0.000000) (1.000000)
egroup (View Data)
group (CYX_CYSTEINE-S-S-CYSTEINE)
info opengroup open = True
mol (Chunk1) def
atom 1 (7) (-4876, -1615, 96) def
info atom atomtype = sp2(graphitic)
atom 2 (1) (-5409, -1336, 916) def
bond1 1
atom 3 (1) (-5219, -2365, -499) def
bond1 1
atom 4 (6) (-3581, -916, -239) def
bond1 1
atom 5 (1) (-3230, -355, 627) def
bond1 4
atom 6 (6) (-3764, 126, -1384) def
info atom atomtype = sp2
bond1 4
atom 7 (8) (-4219, -177, -2467) def
info atom atomtype = sp2
bond2 6
atom 8 (8) (-3364, 1502, -1113) def
bond1 6
atom 9 (1) (-4106, 1974, -713) def
bond1 8
atom 10 (6) (-2441, -1920, -606) def
bond1 4
atom 11 (1) (-2312, -2671, 171) def
bond1 10
atom 12 (1) (-2649, -2424, -1548) def
bond1 10
atom 13 (7) (3919, -2625, -2687) def
info atom atomtype = sp2(graphitic)
atom 14 (1) (4421, -2422, -3548) def
bond1 13
atom 15 (1) (4241, -3372, -2078) def
bond1 13
atom 16 (6) (2696, -1820, -2316) def
bond1 13
atom 17 (1) (2468, -1119, -3118) def
bond1 16
atom 18 (6) (2933, -947, -1048) def
info atom atomtype = sp2
bond1 16
atom 19 (8) (3491, -1377, -62) def
info atom atomtype = sp2
bond2 18
atom 20 (8) (2452, 430, -1080) def
bond1 18
atom 21 (1) (3151, 1002, -1422) def
bond1 20
atom 22 (6) (1430, -2722, -2113) def
bond1 16
atom 23 (1) (1491, -3623, -2720) def
bond1 22
atom 24 (1) (1302, -3020, -1074) def
bond1 22
atom 25 (16) (-793, -1064, -753) def
bond1 10
atom 26 (16) (-135, -1875, -2658) def
bond1 25 22
egroup (CYX_CYSTEINE-S-S-CYSTEINE)
end1
group (Clipboard)
info opengroup open = False
group (Clipboard item 1)
info opengroup open = True
mol (Chunk1) def
atom 27 (7) (-5956, -1311, 53) def
info atom atomtype = sp2(graphitic)
atom 28 (1) (-6647, -648, 393) def
bond1 27
atom 29 (1) (-6234, -2264, -166) def
bond1 27
atom 30 (6) (-4521, -878, -132) def
bond1 27
atom 31 (1) (-4223, -240, 701) def
bond1 30
atom 32 (6) (-4335, -23, -1421) def
info atom atomtype = sp2
bond1 30
atom 33 (8) (-4820, -345, -2485) def
info atom atomtype = sp2
bond2 32
atom 34 (8) (-3544, 1199, -1313) def
bond1 32
atom 35 (1) (-4100, 1908, -964) def
bond1 34
atom 36 (6) (-3527, -2085, -141) def
bond1 30
atom 37 (1) (-3647, -2708, 744) def
bond1 36
atom 38 (1) (-3647, -2700, -1031) def
bond1 36
mol (CYM_CYSTEINE_with_negative_charge.in_frag) def
atom 39 (16) (-1759, -1529, -132) def
info atom atomtype = sp2
bond1 36
egroup (Clipboard item 1)
egroup (Clipboard)
end molecular machine part CYX_CYSTEINE-S-S-CYSTEINE