GC5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O26 | P24 | doub | 1.48Å | 1.51Å | |
P24 | O23 | sing | 1.61Å | 1.51Å | |
P24 | O27 | sing | 1.61Å | 1.61Å | |
O35 | C34 | doub | 1.21Å | 1.22Å | |
O27 | C28 | sing | 1.43Å | 1.42Å | |
C31 | C29 | sing | 1.53Å | 1.52Å | |
C28 | C29 | sing | 1.53Å | 1.52Å | |
C32 | C34 | sing | 1.51Å | 1.50Å | |
C32 | C29 | sing | 1.53Å | 1.53Å | |
C32 | O33 | sing | 1.43Å | 1.43Å | |
C34 | N36 | sing | 1.35Å | 1.33Å | |
C29 | C30 | sing | 1.53Å | 1.52Å | |
N36 | C37 | sing | 1.47Å | 1.44Å | |
C37 | C38 | sing | 1.53Å | 1.52Å | |
O40 | C39 | doub | 1.21Å | 1.21Å | |
C38 | C39 | sing | 1.51Å | 1.51Å | |
C39 | N41 | sing | 1.35Å | 1.33Å | |
N41 | C42 | sing | 1.47Å | 1.45Å | |
C42 | C43 | sing | 1.53Å | 1.52Å | |
C43 | S44 | sing | 1.81Å | 1.80Å | |
S44 | C10 | sing | 1.76Å | 1.80Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C3 | C2 | sing | 1.51Å | 1.51Å | |
C10 | O1 | doub | 1.22Å | 1.26Å | |
C10 | C1 | sing | 1.47Å | 1.51Å | |
C2 | C1 | doub | 1.33Å | 1.35Å | |
P24 | O25 | sing | 1.61Å | 1.61Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C1 | H8 | sing | 1.08Å | 1.08Å | |
C2 | H9 | sing | 1.08Å | 1.08Å | |
C3 | H10 | sing | 1.09Å | 1.10Å | |
C3 | H11 | sing | 1.09Å | 1.10Å | |
O23 | HOP1 | sing | 0.97Å | 0.95Å | |
C30 | H301 | sing | 1.09Å | 1.10Å | |
C30 | H302 | sing | 1.09Å | 1.10Å | |
C30 | H303 | sing | 1.09Å | 1.10Å | |
C31 | H311 | sing | 1.09Å | 1.10Å | |
C31 | H312 | sing | 1.09Å | 1.10Å | |
C31 | H313 | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
O33 | H33 | sing | 0.97Å | 0.95Å | |
N36 | H36 | sing | 0.97Å | 1.00Å | |
C37 | H371 | sing | 1.09Å | 1.10Å | |
C37 | H372 | sing | 1.09Å | 1.10Å | |
C38 | H381 | sing | 1.09Å | 1.10Å | |
C38 | H382 | sing | 1.09Å | 1.10Å | |
N41 | H41 | sing | 0.97Å | 1.00Å | |
C42 | H421 | sing | 1.09Å | 1.10Å | |
C42 | H422 | sing | 1.09Å | 1.10Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
O25 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O26 | P24 | O23 | 118.9° | 109.5° |
O26 | P24 | O27 | 106.1° | 109.4° |
O26 | P24 | O25 | 107.3° | 109.4° |
O23 | P24 | O27 | 106.0° | 109.5° |
O23 | P24 | O25 | 108.3° | 109.5° |
P24 | O23 | HOP1 | 109.5° | 114.0° |
P24 | O27 | C28 | 120.1° | 123.0° |
O27 | P24 | O25 | 110.1° | 109.5° |
O35 | C34 | C32 | 119.8° | 120.0° |
O35 | C34 | N36 | 121.6° | 120.0° |
O27 | C28 | C29 | 110.2° | 109.5° |
O27 | C28 | H281 | 109.3° | 109.5° |
O27 | C28 | H282 | 109.3° | 109.5° |
C31 | C29 | C28 | 110.7° | 109.5° |
C31 | C29 | C32 | 109.8° | 109.5° |
C31 | C29 | C30 | 109.6° | 109.5° |
C29 | C31 | H311 | 109.5° | 109.5° |
C29 | C31 | H312 | 109.5° | 109.4° |
C29 | C31 | H313 | 109.4° | 109.5° |
C28 | C29 | C32 | 105.8° | 109.5° |
C28 | C29 | C30 | 109.0° | 109.4° |
C29 | C28 | H281 | 109.3° | 109.5° |
C29 | C28 | H282 | 109.3° | 109.5° |
C34 | C32 | C29 | 113.9° | 109.5° |
C34 | C32 | O33 | 109.8° | 109.5° |
C32 | C34 | N36 | 118.6° | 120.0° |
C34 | C32 | H32 | 107.8° | 109.5° |
C29 | C32 | O33 | 109.1° | 109.4° |
C32 | C29 | C30 | 111.9° | 109.5° |
C29 | C32 | H32 | 107.5° | 109.5° |
O33 | C32 | H32 | 108.7° | 109.4° |
C32 | O33 | H33 | 109.5° | 113.9° |
C34 | N36 | C37 | 120.0° | 120.0° |
C34 | N36 | H36 | 120.0° | 120.0° |
C29 | C30 | H301 | 109.5° | 109.5° |
C29 | C30 | H302 | 109.5° | 109.5° |
C29 | C30 | H303 | 109.5° | 109.5° |
N36 | C37 | C38 | 112.3° | 109.5° |
C37 | N36 | H36 | 120.0° | 120.0° |
N36 | C37 | H371 | 108.7° | 109.5° |
N36 | C37 | H372 | 108.8° | 109.4° |
C37 | C38 | C39 | 107.3° | 109.5° |
C38 | C37 | H371 | 108.8° | 109.5° |
C38 | C37 | H372 | 108.7° | 109.4° |
C37 | C38 | H381 | 110.0° | 109.5° |
C37 | C38 | H382 | 110.0° | 109.5° |
O40 | C39 | C38 | 119.7° | 120.0° |
O40 | C39 | N41 | 122.9° | 120.0° |
C38 | C39 | N41 | 117.4° | 120.0° |
C39 | C38 | H381 | 110.0° | 109.5° |
C39 | C38 | H382 | 110.0° | 109.5° |
C39 | N41 | C42 | 121.7° | 119.9° |
C39 | N41 | H41 | 119.1° | 120.0° |
N41 | C42 | C43 | 110.6° | 109.4° |
C42 | N41 | H41 | 119.2° | 120.1° |
N41 | C42 | H421 | 109.2° | 109.4° |
N41 | C42 | H422 | 109.2° | 109.5° |
C42 | C43 | S44 | 106.2° | 109.4° |
C43 | C42 | H421 | 109.2° | 109.5° |
C43 | C42 | H422 | 109.2° | 109.5° |
C42 | C43 | H431 | 110.3° | 109.5° |
C42 | C43 | H432 | 110.3° | 109.5° |
C43 | S44 | C10 | 104.4° | 100.0° |
S44 | C43 | H431 | 110.3° | 109.5° |
S44 | C43 | H432 | 110.3° | 109.4° |
S44 | C10 | O1 | 122.4° | 120.0° |
S44 | C10 | C1 | 118.3° | 120.0° |
C5 | C4 | C3 | 111.7° | 109.5° |
C5 | C4 | H1 | 108.9° | 109.5° |
C5 | C4 | H2 | 108.9° | 109.4° |
C4 | C5 | H3 | 109.5° | 109.4° |
C4 | C5 | H4 | 109.4° | 109.5° |
C4 | C5 | H5 | 109.5° | 109.5° |
C4 | C3 | C2 | 112.8° | 109.4° |
C3 | C4 | H1 | 108.9° | 109.5° |
C3 | C4 | H2 | 108.9° | 109.5° |
C4 | C3 | H10 | 108.6° | 109.5° |
C4 | C3 | H11 | 108.6° | 109.5° |
C3 | C2 | C1 | 122.8° | 120.0° |
C3 | C2 | H9 | 118.6° | 120.0° |
C2 | C3 | H10 | 108.6° | 109.5° |
C2 | C3 | H11 | 108.6° | 109.5° |
O1 | C10 | C1 | 119.2° | 120.0° |
C10 | C1 | C2 | 120.9° | 120.0° |
C10 | C1 | H8 | 119.6° | 120.0° |
C2 | C1 | H8 | 119.6° | 120.0° |
C1 | C2 | H9 | 118.6° | 120.0° |
P24 | O25 | HOP2 | 109.5° | 114.0° |
H1 | C4 | H2 | 109.5° | 109.5° |
H3 | C5 | H4 | 109.5° | 109.5° |
H3 | C5 | H5 | 109.5° | 109.4° |
H4 | C5 | H5 | 109.5° | 109.5° |
H281 | C28 | H282 | 109.5° | 109.5° |
H10 | C3 | H11 | 109.5° | 109.5° |
H301 | C30 | H302 | 109.4° | 109.5° |
H301 | C30 | H303 | 109.5° | 109.5° |
H302 | C30 | H303 | 109.5° | 109.4° |
H311 | C31 | H312 | 109.5° | 109.4° |
H311 | C31 | H313 | 109.5° | 109.5° |
H312 | C31 | H313 | 109.5° | 109.5° |
H371 | C37 | H372 | 109.5° | 109.5° |
H381 | C38 | H382 | 109.5° | 109.4° |
H421 | C42 | H422 | 109.5° | 109.5° |
H431 | C43 | H432 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O26 | P24 | O23 | O27 | 119.1° | 120.0° |
O26 | P24 | O23 | O25 | 122.7° | 120.0° |
O26 | P24 | O27 | O25 | 115.8° | 120.0° |
O26 | P24 | O27 | C28 | 61.7° | 55.0° |
O26 | P24 | O23 | HOP1 | 0.0° | 180.0° |
O26 | P24 | O25 | HOP2 | 0.0° | 60.0° |
O23 | P24 | O27 | O25 | 117.0° | 120.1° |
O23 | P24 | O27 | C28 | 171.0° | 65.0° |
O23 | P24 | O25 | HOP2 | 129.5° | 60.0° |
P24 | O27 | C28 | C29 | 145.7° | 180.0° |
P24 | O27 | C28 | H281 | 25.6° | 60.0° |
P24 | O27 | C28 | H282 | 94.2° | 60.0° |
O27 | P24 | O23 | HOP1 | 119.1° | 60.0° |
O27 | P24 | O25 | HOP2 | 115.0° | 180.0° |
O35 | C34 | C32 | N36 | 178.9° | 180.0° |
O35 | C34 | C32 | C29 | 99.8° | 105.2° |
O35 | C34 | C32 | O33 | 137.6° | 14.8° |
O35 | C34 | N36 | C37 | 30.2° | 2.5° |
O35 | C34 | C32 | H32 | 19.3° | 134.7° |
O35 | C34 | N36 | H36 | 149.7° | 177.4° |
O27 | C28 | C29 | C31 | 31.7° | 60.0° |
O27 | C28 | C29 | H281 | 120.1° | 120.0° |
O27 | C28 | C29 | H282 | 120.1° | 120.0° |
O27 | C28 | C29 | C32 | 150.6° | 180.0° |
O27 | C28 | C29 | C30 | 88.9° | 60.0° |
C28 | O27 | P24 | O25 | 54.0° | 175.0° |
O27 | C28 | H281 | H282 | 119.6° | 120.0° |
C31 | C29 | C28 | C32 | 118.9° | 120.1° |
C31 | C29 | C28 | C30 | 120.7° | 120.0° |
C31 | C29 | C32 | C34 | 56.6° | 178.0° |
C31 | C29 | C32 | C30 | 121.9° | 120.0° |
C31 | C29 | C32 | O33 | 179.6° | 62.0° |
C31 | C29 | C28 | H281 | 88.4° | 60.0° |
C31 | C29 | C28 | H282 | 151.9° | 180.0° |
C31 | C29 | C30 | H301 | 180.0° | 60.2° |
C31 | C29 | C30 | H302 | 60.0° | 59.7° |
C31 | C29 | C30 | H303 | 60.0° | 179.7° |
C29 | C31 | H311 | H312 | 120.0° | 119.9° |
C29 | C31 | H311 | H313 | 120.0° | 120.1° |
C29 | C31 | H312 | H313 | 120.0° | 120.0° |
C31 | C29 | C32 | H32 | 62.7° | 58.0° |
C28 | C29 | C32 | C34 | 176.1° | 62.0° |
C28 | C29 | C32 | C30 | 118.6° | 120.0° |
C28 | C29 | C32 | O33 | 60.9° | 58.0° |
C29 | C28 | H281 | H282 | 119.7° | 120.0° |
C28 | C29 | C30 | H301 | 58.7° | 59.7° |
C28 | C29 | C30 | H302 | 61.3° | 179.7° |
C28 | C29 | C30 | H303 | 178.7° | 60.3° |
C28 | C29 | C31 | H311 | 180.0° | 64.7° |
C28 | C29 | C31 | H312 | 60.0° | 175.3° |
C28 | C29 | C31 | H313 | 60.0° | 55.3° |
C28 | C29 | C32 | H32 | 56.7° | 178.0° |
C34 | C32 | C29 | O33 | 123.0° | 120.0° |
C34 | C32 | C29 | H32 | 119.3° | 120.0° |
C34 | C32 | O33 | H32 | 117.7° | 120.0° |
C34 | C32 | C29 | C30 | 65.3° | 58.0° |
C32 | C34 | N36 | C37 | 148.6° | 177.5° |
C34 | C32 | O33 | H33 | 180.0° | 59.9° |
C32 | C34 | N36 | H36 | 31.4° | 2.6° |
C29 | C32 | O33 | H32 | 116.9° | 120.0° |
C29 | C32 | C34 | N36 | 81.3° | 74.7° |
C32 | C29 | C28 | H281 | 30.5° | 60.1° |
C32 | C29 | C28 | H282 | 89.3° | 60.0° |
C32 | C29 | C30 | H301 | 58.0° | 179.7° |
C32 | C29 | C30 | H302 | 178.0° | 60.3° |
C32 | C29 | C30 | H303 | 62.0° | 59.7° |
C32 | C29 | C31 | H311 | 63.6° | 55.3° |
C32 | C29 | C31 | H312 | 176.4° | 64.6° |
C32 | C29 | C31 | H313 | 56.4° | 175.4° |
C29 | C32 | O33 | H33 | 54.6° | 60.1° |
O33 | C32 | C34 | N36 | 41.3° | 165.3° |
O33 | C32 | C29 | C30 | 57.7° | 178.0° |
C34 | N36 | C37 | H36 | 180.0° | 179.9° |
C34 | N36 | C37 | C38 | 124.4° | 180.0° |
N36 | C34 | C32 | H32 | 159.6° | 45.3° |
C34 | N36 | C37 | H371 | 4.0° | 60.0° |
C34 | N36 | C37 | H372 | 115.2° | 60.1° |
C30 | C29 | C28 | H281 | 151.0° | 180.0° |
C30 | C29 | C28 | H282 | 31.2° | 60.0° |
C29 | C30 | H301 | H302 | 120.0° | 120.0° |
C29 | C30 | H301 | H303 | 120.0° | 120.0° |
C29 | C30 | H302 | H303 | 120.0° | 120.0° |
C30 | C29 | C31 | H311 | 59.7° | 175.3° |
C30 | C29 | C31 | H312 | 60.3° | 55.4° |
C30 | C29 | C31 | H313 | 179.7° | 64.6° |
C30 | C29 | C32 | H32 | 175.3° | 62.0° |
N36 | C37 | C38 | H371 | 120.4° | 120.0° |
N36 | C37 | C38 | H372 | 120.4° | 119.9° |
N36 | C37 | C38 | C39 | 177.5° | 180.0° |
N36 | C37 | H371 | H372 | 118.7° | 120.0° |
N36 | C37 | C38 | H381 | 62.9° | 59.9° |
N36 | C37 | C38 | H382 | 57.8° | 60.0° |
C37 | C38 | C39 | O40 | 28.1° | 0.0° |
C37 | C38 | C39 | H381 | 119.7° | 120.1° |
C37 | C38 | C39 | H382 | 119.6° | 120.0° |
C37 | C38 | C39 | N41 | 151.3° | 179.9° |
C38 | C37 | N36 | H36 | 55.6° | 0.1° |
C38 | C37 | H371 | H372 | 118.7° | 120.0° |
C37 | C38 | H381 | H382 | 121.0° | 120.0° |
O40 | C39 | C38 | N41 | 179.4° | 179.9° |
O40 | C39 | N41 | C42 | 43.5° | 0.1° |
O40 | C39 | C38 | H381 | 147.8° | 120.1° |
O40 | C39 | C38 | H382 | 91.5° | 120.0° |
O40 | C39 | N41 | H41 | 136.5° | 180.0° |
C38 | C39 | N41 | C42 | 137.1° | 180.0° |
C39 | C38 | C37 | H371 | 57.1° | 60.0° |
C39 | C38 | C37 | H372 | 62.1° | 60.0° |
C39 | C38 | H381 | H382 | 121.0° | 120.0° |
C38 | C39 | N41 | H41 | 42.9° | 0.0° |
C39 | N41 | C42 | H41 | 180.0° | 179.9° |
C39 | N41 | C42 | C43 | 138.9° | 180.0° |
N41 | C39 | C38 | H381 | 31.6° | 60.0° |
N41 | C39 | C38 | H382 | 89.1° | 59.9° |
C39 | N41 | C42 | H421 | 18.8° | 60.1° |
C39 | N41 | C42 | H422 | 100.9° | 60.0° |
N41 | C42 | C43 | H421 | 120.2° | 119.9° |
N41 | C42 | C43 | H422 | 120.2° | 120.0° |
N41 | C42 | C43 | S44 | 35.7° | 180.0° |
N41 | C42 | H421 | H422 | 119.4° | 120.0° |
N41 | C42 | C43 | H431 | 155.2° | 60.1° |
N41 | C42 | C43 | H432 | 83.8° | 60.0° |
C42 | C43 | S44 | H431 | 119.5° | 120.0° |
C42 | C43 | S44 | H432 | 119.5° | 120.0° |
C42 | C43 | S44 | C10 | 170.0° | 180.0° |
C43 | C42 | N41 | H41 | 41.0° | 0.0° |
C43 | C42 | H421 | H422 | 119.5° | 120.1° |
C42 | C43 | H431 | H432 | 121.5° | 120.1° |
C43 | S44 | C10 | O1 | 179.6° | 0.0° |
C43 | S44 | C10 | C1 | 0.3° | 180.0° |
S44 | C43 | C42 | H421 | 84.4° | 60.0° |
S44 | C43 | C42 | H422 | 155.9° | 60.1° |
S44 | C43 | H431 | H432 | 121.5° | 120.0° |
S44 | C10 | O1 | C1 | 179.4° | 179.9° |
S44 | C10 | C1 | C2 | 117.7° | 173.1° |
S44 | C10 | C1 | H8 | 62.3° | 6.9° |
C10 | S44 | C43 | H431 | 50.5° | 60.0° |
C10 | S44 | C43 | H432 | 70.5° | 60.0° |
C5 | C4 | C3 | H1 | 120.3° | 120.0° |
C5 | C4 | C3 | H2 | 120.3° | 120.0° |
C5 | C4 | C3 | C2 | 176.8° | 180.0° |
C5 | C4 | H1 | H2 | 119.0° | 120.0° |
C4 | C5 | H3 | H4 | 120.0° | 120.0° |
C4 | C5 | H3 | H5 | 120.0° | 120.0° |
C4 | C5 | H4 | H5 | 120.0° | 120.0° |
C5 | C4 | C3 | H10 | 62.8° | 60.0° |
C5 | C4 | C3 | H11 | 56.2° | 60.0° |
C4 | C3 | C2 | H10 | 120.5° | 120.0° |
C4 | C3 | C2 | H11 | 120.5° | 120.0° |
C4 | C3 | C2 | C1 | 100.4° | 136.6° |
C3 | C4 | H1 | H2 | 119.0° | 120.1° |
C3 | C4 | C5 | H3 | 180.0° | 60.0° |
C3 | C4 | C5 | H4 | 60.0° | 60.0° |
C3 | C4 | C5 | H5 | 60.0° | 180.0° |
C4 | C3 | C2 | H9 | 79.6° | 43.5° |
C4 | C3 | H10 | H11 | 118.5° | 120.0° |
C3 | C2 | C1 | C10 | 6.3° | 15.0° |
C3 | C2 | C1 | H9 | 180.0° | 179.9° |
C2 | C3 | C4 | H1 | 56.4° | 60.0° |
C2 | C3 | C4 | H2 | 62.9° | 60.0° |
C3 | C2 | C1 | H8 | 173.7° | 165.0° |
C2 | C3 | H10 | H11 | 118.5° | 120.1° |
O1 | C10 | C1 | C2 | 62.9° | 7.0° |
O1 | C10 | C1 | H8 | 117.1° | 173.0° |
C10 | C1 | C2 | H8 | 180.0° | 180.0° |
C10 | C1 | C2 | H9 | 173.7° | 164.9° |
C1 | C2 | C3 | H10 | 139.1° | 16.6° |
C1 | C2 | C3 | H11 | 20.1° | 103.5° |
O25 | P24 | O23 | HOP1 | 122.8° | 60.0° |
H1 | C4 | C5 | H3 | 59.7° | 60.0° |
H1 | C4 | C5 | H4 | 60.3° | 180.0° |
H1 | C4 | C5 | H5 | 179.7° | 60.0° |
H1 | C4 | C3 | H10 | 176.9° | 180.0° |
H1 | C4 | C3 | H11 | 64.1° | 60.0° |
H2 | C4 | C5 | H3 | 59.6° | 179.9° |
H2 | C4 | C5 | H4 | 179.6° | 60.0° |
H2 | C4 | C5 | H5 | 60.4° | 60.0° |
H2 | C4 | C3 | H10 | 57.6° | 60.0° |
H2 | C4 | C3 | H11 | 176.6° | 180.0° |
H3 | C5 | H4 | H5 | 120.0° | 120.0° |
H8 | C1 | C2 | H9 | 6.3° | 15.1° |
H9 | C2 | C3 | H10 | 40.9° | 163.5° |
H9 | C2 | C3 | H11 | 159.9° | 76.4° |
H301 | C30 | H302 | H303 | 120.0° | 120.0° |
H311 | C31 | H312 | H313 | 120.0° | 120.1° |
H32 | C32 | O33 | H33 | 62.3° | 179.9° |
H36 | N36 | C37 | H371 | 176.0° | 119.9° |
H36 | N36 | C37 | H372 | 64.8° | 120.0° |
H371 | C37 | C38 | H381 | 176.7° | 179.9° |
H371 | C37 | C38 | H382 | 62.6° | 60.0° |
H372 | C37 | C38 | H381 | 57.6° | 60.0° |
H372 | C37 | C38 | H382 | 178.2° | 180.0° |
H41 | N41 | C42 | H421 | 161.2° | 120.0° |
H41 | N41 | C42 | H422 | 79.1° | 120.0° |
H421 | C42 | C43 | H431 | 35.0° | 180.0° |
H421 | C42 | C43 | H432 | 156.1° | 59.9° |
H422 | C42 | C43 | H431 | 84.6° | 59.9° |
H422 | C42 | C43 | H432 | 36.4° | 180.0° |