ZMQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O23 | P24 | sing | 1.61Å | 1.67Å | |
P24 | O26 | doub | 1.48Å | 1.67Å | |
P24 | O27 | sing | 1.61Å | 1.83Å | |
O27 | C28 | sing | 1.43Å | 1.42Å | |
C28 | C29 | sing | 1.53Å | 1.52Å | |
C29 | C31 | sing | 1.53Å | 1.53Å | |
C29 | C30 | sing | 1.53Å | 1.52Å | |
C29 | C32 | sing | 1.53Å | 1.53Å | |
C32 | O33 | sing | 1.43Å | 1.43Å | |
C32 | C34 | sing | 1.51Å | 1.50Å | |
C34 | O35 | doub | 1.21Å | 1.33Å | |
C34 | N36 | sing | 1.35Å | 1.26Å | |
N36 | C37 | sing | 1.47Å | 1.46Å | |
C37 | C38 | sing | 1.53Å | 1.53Å | |
C38 | C39 | sing | 1.51Å | 1.51Å | |
C39 | O40 | doub | 1.21Å | 1.33Å | |
C39 | N41 | sing | 1.35Å | 1.26Å | |
N41 | C42 | sing | 1.46Å | 1.45Å | |
C42 | C43 | sing | 1.53Å | 1.52Å | |
C43 | S1 | sing | 1.81Å | 1.76Å | |
S1 | C1 | sing | 1.71Å | 1.77Å | |
C1 | O1 | doub | 1.21Å | 1.33Å | |
C1 | C2 | sing | 1.51Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C8 | C9 | sing | 1.51Å | 1.53Å | |
C9 | C10 | doub | 1.31Å | 1.33Å | |
C10 | C11 | sing | 1.51Å | 1.53Å | |
C11 | C12 | sing | 1.53Å | 1.53Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C15 | C16 | sing | 1.53Å | 1.51Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H28A | sing | 1.09Å | 1.10Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C31 | H31A | sing | 1.09Å | 1.10Å | |
C31 | H31B | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H30A | sing | 1.09Å | 1.10Å | |
C30 | H30B | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
O33 | HO33 | sing | 0.97Å | 0.95Å | |
N36 | HN36 | sing | 0.97Å | 1.00Å | |
C37 | H37 | sing | 1.09Å | 1.10Å | |
C37 | H37A | sing | 1.09Å | 1.10Å | |
C38 | H38 | sing | 1.09Å | 1.10Å | |
C38 | H38A | sing | 1.09Å | 1.10Å | |
N41 | HN41 | sing | 0.97Å | 1.00Å | |
C42 | H42 | sing | 1.09Å | 1.10Å | |
C42 | H42A | sing | 1.09Å | 1.10Å | |
C43 | H43 | sing | 1.09Å | 1.10Å | |
C43 | H43A | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C16 | H16B | sing | 1.09Å | 1.10Å | |
P24 | O28 | sing | 1.61Å | 195.45Å | |
O28 | HO28 | sing | 0.97Å | 0.00Å | |
O23 | HO23 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O23 | P24 | O26 | 118.4° | 109.4° |
O23 | P24 | O27 | 117.0° | 109.5° |
O23 | P24 | O28 | 166.9° | 109.5° |
P24 | O23 | HO23 | 109.5° | 114.0° |
O26 | P24 | O27 | 118.1° | 109.5° |
O26 | P24 | O28 | 74.6° | 109.5° |
P24 | O27 | C28 | 119.9° | 123.0° |
O27 | P24 | O28 | 52.1° | 109.5° |
O27 | C28 | C29 | 110.1° | 109.5° |
O27 | C28 | H28 | 109.3° | 109.5° |
O27 | C28 | H28A | 109.3° | 109.5° |
C28 | C29 | C31 | 110.6° | 109.5° |
C28 | C29 | C30 | 108.0° | 109.5° |
C28 | C29 | C32 | 109.6° | 109.5° |
C29 | C28 | H28 | 109.3° | 109.5° |
C29 | C28 | H28A | 109.3° | 109.5° |
C31 | C29 | C30 | 107.6° | 109.4° |
C31 | C29 | C32 | 108.6° | 109.5° |
C29 | C31 | H31 | 109.5° | 109.5° |
C29 | C31 | H31A | 109.5° | 109.5° |
C29 | C31 | H31B | 109.5° | 109.4° |
C30 | C29 | C32 | 112.4° | 109.5° |
C29 | C30 | H30 | 109.5° | 109.5° |
C29 | C30 | H30A | 109.5° | 109.5° |
C29 | C30 | H30B | 109.5° | 109.5° |
C29 | C32 | O33 | 110.7° | 109.5° |
C29 | C32 | C34 | 114.0° | 109.5° |
C29 | C32 | H32 | 107.0° | 109.5° |
O33 | C32 | C34 | 109.4° | 109.5° |
O33 | C32 | H32 | 108.2° | 109.5° |
C32 | O33 | HO33 | 109.5° | 114.0° |
C32 | C34 | O35 | 121.5° | 120.0° |
C32 | C34 | N36 | 118.1° | 120.0° |
C34 | C32 | H32 | 107.3° | 109.5° |
O35 | C34 | N36 | 120.4° | 120.0° |
C34 | N36 | C37 | 129.0° | 120.0° |
C34 | N36 | HN36 | 115.5° | 120.0° |
N36 | C37 | C38 | 104.9° | 109.4° |
C37 | N36 | HN36 | 115.5° | 120.0° |
N36 | C37 | H37 | 110.6° | 109.5° |
N36 | C37 | H37A | 110.6° | 109.5° |
C37 | C38 | C39 | 111.5° | 109.4° |
C38 | C37 | H37 | 110.6° | 109.4° |
C38 | C37 | H37A | 110.6° | 109.5° |
C37 | C38 | H38 | 108.9° | 109.5° |
C37 | C38 | H38A | 108.9° | 109.5° |
C38 | C39 | O40 | 120.8° | 120.0° |
C38 | C39 | N41 | 119.6° | 120.0° |
C39 | C38 | H38 | 109.0° | 109.5° |
C39 | C38 | H38A | 108.9° | 109.5° |
O40 | C39 | N41 | 119.6° | 120.0° |
C39 | N41 | C42 | 126.8° | 120.0° |
C39 | N41 | HN41 | 116.6° | 120.0° |
N41 | C42 | C43 | 105.0° | 109.5° |
C42 | N41 | HN41 | 116.6° | 120.0° |
N41 | C42 | H42 | 110.6° | 109.5° |
N41 | C42 | H42A | 110.6° | 109.5° |
C42 | C43 | S1 | 109.1° | 109.5° |
C43 | C42 | H42 | 110.6° | 109.5° |
C43 | C42 | H42A | 110.6° | 109.5° |
C42 | C43 | H43 | 109.6° | 109.5° |
C42 | C43 | H43A | 109.5° | 109.5° |
C43 | S1 | C1 | 109.9° | 100.0° |
S1 | C43 | H43 | 109.5° | 109.5° |
S1 | C43 | H43A | 109.6° | 109.5° |
S1 | C1 | O1 | 118.8° | 120.0° |
S1 | C1 | C2 | 119.4° | 120.0° |
O1 | C1 | C2 | 118.5° | 120.0° |
C1 | C2 | C3 | 111.6° | 109.4° |
C1 | C2 | H2 | 108.9° | 109.5° |
C1 | C2 | H2A | 108.9° | 109.5° |
C2 | C3 | C4 | 111.1° | 109.5° |
C3 | C2 | H2 | 109.0° | 109.5° |
C3 | C2 | H2A | 108.9° | 109.5° |
C2 | C3 | H3 | 109.0° | 109.5° |
C2 | C3 | H3A | 109.1° | 109.5° |
C3 | C4 | C5 | 110.3° | 109.5° |
C4 | C3 | H3 | 109.1° | 109.5° |
C4 | C3 | H3A | 109.0° | 109.4° |
C3 | C4 | H4 | 109.3° | 109.5° |
C3 | C4 | H4A | 109.2° | 109.5° |
C4 | C5 | C6 | 111.6° | 109.5° |
C5 | C4 | H4 | 109.2° | 109.5° |
C5 | C4 | H4A | 109.3° | 109.4° |
C4 | C5 | H5 | 108.9° | 109.5° |
C4 | C5 | H5A | 108.9° | 109.5° |
C5 | C6 | C7 | 110.9° | 109.5° |
C6 | C5 | H5 | 108.9° | 109.5° |
C6 | C5 | H5A | 108.9° | 109.4° |
C5 | C6 | H6 | 109.1° | 109.4° |
C5 | C6 | H6A | 109.1° | 109.5° |
C6 | C7 | C8 | 111.8° | 109.5° |
C7 | C6 | H6 | 109.1° | 109.4° |
C7 | C6 | H6A | 109.1° | 109.5° |
C6 | C7 | H7 | 108.9° | 109.4° |
C6 | C7 | H7A | 108.9° | 109.5° |
C7 | C8 | C9 | 111.8° | 109.5° |
C8 | C7 | H7 | 108.9° | 109.4° |
C8 | C7 | H7A | 108.9° | 109.4° |
C7 | C8 | H8 | 108.9° | 109.5° |
C7 | C8 | H8A | 108.9° | 109.4° |
C8 | C9 | C10 | 122.0° | 120.1° |
C9 | C8 | H8 | 108.9° | 109.5° |
C9 | C8 | H8A | 108.9° | 109.5° |
C8 | C9 | H9 | 119.0° | 120.0° |
C9 | C10 | C11 | 122.1° | 119.9° |
C10 | C9 | H9 | 119.0° | 120.0° |
C9 | C10 | H10 | 119.0° | 120.1° |
C10 | C11 | C12 | 110.7° | 109.4° |
C11 | C10 | H10 | 118.9° | 120.0° |
C10 | C11 | H11 | 109.2° | 109.5° |
C10 | C11 | H11A | 109.2° | 109.5° |
C11 | C12 | C13 | 111.6° | 109.5° |
C12 | C11 | H11 | 109.2° | 109.5° |
C12 | C11 | H11A | 109.1° | 109.5° |
C11 | C12 | H12 | 108.9° | 109.5° |
C11 | C12 | H12A | 108.9° | 109.5° |
C12 | C13 | C14 | 110.6° | 109.5° |
C13 | C12 | H12 | 108.9° | 109.5° |
C13 | C12 | H12A | 108.9° | 109.5° |
C12 | C13 | H13 | 109.2° | 109.5° |
C12 | C13 | H13A | 109.2° | 109.5° |
C13 | C14 | C15 | 111.3° | 109.5° |
C14 | C13 | H13 | 109.2° | 109.5° |
C14 | C13 | H13A | 109.2° | 109.5° |
C13 | C14 | H14 | 109.0° | 109.5° |
C13 | C14 | H14A | 109.0° | 109.5° |
C14 | C15 | C16 | 111.0° | 109.5° |
C15 | C14 | H14 | 109.0° | 109.5° |
C15 | C14 | H14A | 109.0° | 109.5° |
C14 | C15 | H15 | 109.1° | 109.4° |
C14 | C15 | H15A | 109.1° | 109.5° |
C16 | C15 | H15 | 109.1° | 109.5° |
C16 | C15 | H15A | 109.1° | 109.5° |
C15 | C16 | H16 | 109.5° | 109.4° |
C15 | C16 | H16A | 109.5° | 109.5° |
C15 | C16 | H16B | 109.4° | 109.5° |
H28 | C28 | H28A | 109.4° | 109.4° |
H31 | C31 | H31A | 109.5° | 109.5° |
H31 | C31 | H31B | 109.4° | 109.5° |
H31A | C31 | H31B | 109.5° | 109.5° |
H30 | C30 | H30A | 109.5° | 109.4° |
H30 | C30 | H30B | 109.4° | 109.4° |
H30A | C30 | H30B | 109.5° | 109.4° |
H37 | C37 | H37A | 109.5° | 109.5° |
H38 | C38 | H38A | 109.5° | 109.5° |
H42 | C42 | H42A | 109.5° | 109.4° |
H43 | C43 | H43A | 109.5° | 109.5° |
H2 | C2 | H2A | 109.4° | 109.5° |
H3 | C3 | H3A | 109.5° | 109.4° |
H4 | C4 | H4A | 109.5° | 109.4° |
H5 | C5 | H5A | 109.5° | 109.4° |
H6 | C6 | H6A | 109.5° | 109.4° |
H7 | C7 | H7A | 109.5° | 109.4° |
H8 | C8 | H8A | 109.5° | 109.4° |
H11 | C11 | H11A | 109.5° | 109.5° |
H12 | C12 | H12A | 109.5° | 109.5° |
H13 | C13 | H13A | 109.5° | 109.5° |
H14 | C14 | H14A | 109.5° | 109.4° |
H15 | C15 | H15A | 109.5° | 109.4° |
H16 | C16 | H16A | 109.5° | 109.4° |
H16 | C16 | H16B | 109.5° | 109.4° |
H16A | C16 | H16B | 109.5° | 109.5° |
P24 | O28 | HO28 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O23 | P24 | O26 | O27 | 150.9° | 120.0° |
O23 | P24 | O26 | O28 | 179.5° | 120.0° |
O23 | P24 | O27 | O28 | 171.6° | 120.0° |
O23 | P24 | O27 | C28 | 131.5° | 175.0° |
O23 | P24 | O28 | HO28 | 90.0° | 60.0° |
O26 | P24 | O27 | O28 | 37.1° | 120.0° |
O26 | P24 | O27 | C28 | 77.2° | 55.0° |
O26 | P24 | O28 | HO28 | 90.0° | 180.0° |
O26 | P24 | O23 | HO23 | 0.0° | 60.0° |
P24 | O27 | C28 | C29 | 142.7° | 180.0° |
P24 | O27 | C28 | H28 | 22.6° | 60.0° |
P24 | O27 | C28 | H28A | 97.2° | 59.9° |
O27 | P24 | O28 | HO28 | 90.0° | 60.0° |
O27 | P24 | O23 | HO23 | 151.3° | 180.0° |
O27 | C28 | C29 | H28 | 120.1° | 120.0° |
O27 | C28 | C29 | H28A | 120.1° | 120.1° |
O27 | C28 | C29 | C31 | 19.7° | 60.0° |
O27 | C28 | C29 | C30 | 137.2° | 60.0° |
O27 | C28 | C29 | C32 | 100.0° | 180.0° |
O27 | C28 | H28 | H28A | 119.7° | 120.0° |
C28 | O27 | P24 | O28 | 40.1° | 65.0° |
C28 | C29 | C31 | C30 | 117.8° | 120.0° |
C28 | C29 | C31 | C32 | 120.3° | 120.0° |
C28 | C29 | C30 | C32 | 121.0° | 120.0° |
C28 | C29 | C32 | O33 | 24.0° | 65.4° |
C28 | C29 | C32 | C34 | 99.9° | 54.6° |
C29 | C28 | H28 | H28A | 119.7° | 120.0° |
C28 | C29 | C31 | H31 | 180.0° | 55.3° |
C28 | C29 | C31 | H31A | 60.0° | 175.3° |
C28 | C29 | C31 | H31B | 60.0° | 64.7° |
C28 | C29 | C30 | H30 | 180.0° | 60.3° |
C28 | C29 | C30 | H30A | 60.0° | 179.7° |
C28 | C29 | C30 | H30B | 60.0° | 59.7° |
C28 | C29 | C32 | H32 | 141.7° | 174.6° |
C31 | C29 | C30 | C32 | 119.5° | 120.0° |
C31 | C29 | C32 | O33 | 96.9° | 54.6° |
C31 | C29 | C32 | C34 | 139.2° | 174.6° |
C31 | C29 | C28 | H28 | 100.4° | 180.0° |
C31 | C29 | C28 | H28A | 139.8° | 60.1° |
C29 | C31 | H31 | H31A | 120.0° | 120.0° |
C29 | C31 | H31 | H31B | 120.0° | 120.0° |
C29 | C31 | H31A | H31B | 120.0° | 119.9° |
C31 | C29 | C30 | H30 | 60.5° | 179.8° |
C31 | C29 | C30 | H30A | 59.5° | 59.8° |
C31 | C29 | C30 | H30B | 179.5° | 60.2° |
C31 | C29 | C32 | H32 | 20.8° | 65.4° |
C30 | C29 | C32 | O33 | 144.1° | 174.6° |
C30 | C29 | C32 | C34 | 20.3° | 65.4° |
C30 | C29 | C28 | H28 | 17.1° | 60.1° |
C30 | C29 | C28 | H28A | 102.6° | 180.0° |
C30 | C29 | C31 | H31 | 62.2° | 64.6° |
C30 | C29 | C31 | H31A | 177.8° | 55.4° |
C30 | C29 | C31 | H31B | 57.8° | 175.3° |
C29 | C30 | H30 | H30A | 120.0° | 120.0° |
C29 | C30 | H30 | H30B | 120.0° | 120.0° |
C29 | C30 | H30A | H30B | 120.0° | 120.1° |
C30 | C29 | C32 | H32 | 98.2° | 54.6° |
C29 | C32 | O33 | C34 | 126.5° | 120.0° |
C29 | C32 | O33 | H32 | 116.9° | 120.0° |
C29 | C32 | C34 | H32 | 118.3° | 120.0° |
C29 | C32 | C34 | O35 | 26.5° | 103.9° |
C29 | C32 | C34 | N36 | 154.3° | 76.0° |
C32 | C29 | C28 | H28 | 139.9° | 60.0° |
C32 | C29 | C28 | H28A | 20.1° | 59.9° |
C32 | C29 | C31 | H31 | 59.8° | 175.4° |
C32 | C29 | C31 | H31A | 60.2° | 64.6° |
C32 | C29 | C31 | H31B | 179.7° | 55.3° |
C32 | C29 | C30 | H30 | 59.0° | 59.8° |
C32 | C29 | C30 | H30A | 179.0° | 60.2° |
C32 | C29 | C30 | H30B | 61.0° | 179.8° |
C29 | C32 | O33 | HO33 | 180.0° | 60.0° |
O33 | C32 | C34 | H32 | 117.2° | 120.0° |
O33 | C32 | C34 | O35 | 98.1° | 16.1° |
O33 | C32 | C34 | N36 | 81.2° | 164.0° |
C32 | C34 | O35 | N36 | 179.2° | 180.0° |
C32 | C34 | N36 | C37 | 178.9° | 174.9° |
C34 | C32 | O33 | HO33 | 53.5° | 60.0° |
C32 | C34 | N36 | HN36 | 1.1° | 5.1° |
O35 | C34 | N36 | C37 | 1.9° | 5.1° |
O35 | C34 | C32 | H32 | 144.8° | 136.1° |
O35 | C34 | N36 | HN36 | 178.2° | 174.9° |
C34 | N36 | C37 | HN36 | 180.0° | 180.0° |
C34 | N36 | C37 | C38 | 88.7° | 180.0° |
N36 | C34 | C32 | H32 | 36.0° | 43.9° |
C34 | N36 | C37 | H37 | 30.5° | 60.1° |
C34 | N36 | C37 | H37A | 152.0° | 60.0° |
N36 | C37 | C38 | H37 | 119.2° | 120.0° |
N36 | C37 | C38 | H37A | 119.3° | 120.0° |
N36 | C37 | C38 | C39 | 62.3° | 180.0° |
N36 | C37 | H37 | H37A | 122.1° | 120.1° |
N36 | C37 | C38 | H38 | 58.0° | 60.0° |
N36 | C37 | C38 | H38A | 177.4° | 60.0° |
C37 | C38 | C39 | H38 | 120.3° | 120.0° |
C37 | C38 | C39 | H38A | 120.3° | 120.0° |
C37 | C38 | C39 | O40 | 30.9° | 0.1° |
C37 | C38 | C39 | N41 | 149.8° | 180.0° |
C38 | C37 | N36 | HN36 | 91.2° | 0.0° |
C38 | C37 | H37 | H37A | 122.1° | 120.0° |
C37 | C38 | H38 | H38A | 119.0° | 120.1° |
C38 | C39 | O40 | N41 | 179.3° | 179.9° |
C38 | C39 | N41 | C42 | 179.4° | 180.0° |
C39 | C38 | C37 | H37 | 178.5° | 60.0° |
C39 | C38 | C37 | H37A | 57.0° | 60.0° |
C39 | C38 | H38 | H38A | 119.1° | 120.0° |
C38 | C39 | N41 | HN41 | 0.6° | 0.0° |
O40 | C39 | N41 | C42 | 0.1° | 0.0° |
O40 | C39 | C38 | H38 | 89.4° | 120.0° |
O40 | C39 | C38 | H38A | 151.2° | 120.0° |
O40 | C39 | N41 | HN41 | 179.9° | 180.0° |
C39 | N41 | C42 | HN41 | 180.0° | 180.0° |
C39 | N41 | C42 | C43 | 152.6° | 180.0° |
N41 | C39 | C38 | H38 | 89.9° | 60.0° |
N41 | C39 | C38 | H38A | 29.5° | 60.0° |
C39 | N41 | C42 | H42 | 33.4° | 60.0° |
C39 | N41 | C42 | H42A | 88.1° | 60.0° |
N41 | C42 | C43 | H42 | 119.3° | 120.0° |
N41 | C42 | C43 | H42A | 119.3° | 120.1° |
N41 | C42 | C43 | S1 | 169.9° | 180.0° |
N41 | C42 | H42 | H42A | 122.1° | 120.0° |
N41 | C42 | C43 | H43 | 70.2° | 60.0° |
N41 | C42 | C43 | H43A | 49.9° | 60.0° |
C42 | C43 | S1 | H43 | 119.9° | 120.0° |
C42 | C43 | S1 | H43A | 119.9° | 120.0° |
C42 | C43 | S1 | C1 | 78.0° | 180.0° |
C43 | C42 | N41 | HN41 | 27.4° | 0.0° |
C43 | C42 | H42 | H42A | 122.0° | 120.0° |
C42 | C43 | H43 | H43A | 120.2° | 120.0° |
C43 | S1 | C1 | O1 | 45.5° | 0.0° |
C43 | S1 | C1 | C2 | 155.3° | 180.0° |
S1 | C43 | C42 | H42 | 50.6° | 60.0° |
S1 | C43 | C42 | H42A | 70.8° | 59.9° |
S1 | C43 | H43 | H43A | 120.2° | 120.0° |
S1 | C1 | O1 | C2 | 159.4° | 180.0° |
S1 | C1 | C2 | C3 | 74.5° | 180.0° |
C1 | S1 | C43 | H43 | 42.0° | 60.0° |
C1 | S1 | C43 | H43A | 162.1° | 60.0° |
S1 | C1 | C2 | H2 | 45.9° | 60.1° |
S1 | C1 | C2 | H2A | 165.2° | 60.0° |
O1 | C1 | C2 | C3 | 126.3° | 0.0° |
O1 | C1 | C2 | H2 | 113.4° | 120.0° |
O1 | C1 | C2 | H2A | 5.9° | 120.0° |
C1 | C2 | C3 | H2 | 120.3° | 120.0° |
C1 | C2 | C3 | H2A | 120.3° | 120.0° |
C1 | C2 | C3 | C4 | 179.3° | 180.0° |
C1 | C2 | H2 | H2A | 119.0° | 120.0° |
C1 | C2 | C3 | H3 | 59.1° | 60.0° |
C1 | C2 | C3 | H3A | 60.4° | 60.0° |
C2 | C3 | C4 | H3 | 120.2° | 120.0° |
C2 | C3 | C4 | H3A | 120.3° | 120.0° |
C2 | C3 | C4 | C5 | 142.1° | 180.0° |
C3 | C2 | H2 | H2A | 119.0° | 120.0° |
C2 | C3 | H3 | H3A | 119.2° | 120.0° |
C2 | C3 | C4 | H4 | 97.8° | 60.0° |
C2 | C3 | C4 | H4A | 22.0° | 60.0° |
C3 | C4 | C5 | H4 | 120.2° | 120.0° |
C3 | C4 | C5 | H4A | 120.1° | 120.0° |
C3 | C4 | C5 | C6 | 179.2° | 180.0° |
C4 | C3 | C2 | H2 | 60.3° | 60.0° |
C4 | C3 | C2 | H2A | 59.0° | 60.1° |
C4 | C3 | H3 | H3A | 119.2° | 119.9° |
C3 | C4 | H4 | H4A | 119.6° | 120.0° |
C3 | C4 | C5 | H5 | 58.9° | 60.0° |
C3 | C4 | C5 | H5A | 60.5° | 60.0° |
C4 | C5 | C6 | H5 | 120.3° | 120.0° |
C4 | C5 | C6 | H5A | 120.3° | 120.0° |
C4 | C5 | C6 | C7 | 109.2° | 180.0° |
C5 | C4 | C3 | H3 | 21.9° | 60.0° |
C5 | C4 | C3 | H3A | 97.7° | 60.0° |
C5 | C4 | H4 | H4A | 119.6° | 120.0° |
C4 | C5 | H5 | H5A | 119.0° | 120.0° |
C4 | C5 | C6 | H6 | 130.6° | 60.0° |
C4 | C5 | C6 | H6A | 11.0° | 60.0° |
C5 | C6 | C7 | H6 | 120.2° | 120.0° |
C5 | C6 | C7 | H6A | 120.2° | 120.1° |
C5 | C6 | C7 | C8 | 93.2° | 180.0° |
C6 | C5 | C4 | H4 | 60.6° | 60.0° |
C6 | C5 | C4 | H4A | 59.1° | 60.0° |
C6 | C5 | H5 | H5A | 119.0° | 119.9° |
C5 | C6 | H6 | H6A | 119.3° | 120.0° |
C5 | C6 | C7 | H7 | 146.5° | 60.0° |
C5 | C6 | C7 | H7A | 27.1° | 60.0° |
C6 | C7 | C8 | H7 | 120.4° | 120.0° |
C6 | C7 | C8 | H7A | 120.4° | 120.1° |
C6 | C7 | C8 | C9 | 21.5° | 180.0° |
C7 | C6 | C5 | H5 | 11.2° | 60.0° |
C7 | C6 | C5 | H5A | 130.5° | 59.9° |
C7 | C6 | H6 | H6A | 119.4° | 120.0° |
C6 | C7 | H7 | H7A | 119.0° | 120.0° |
C6 | C7 | C8 | H8 | 98.8° | 60.0° |
C6 | C7 | C8 | H8A | 141.8° | 59.9° |
C7 | C8 | C9 | H8 | 120.3° | 120.0° |
C7 | C8 | C9 | H8A | 120.3° | 120.0° |
C7 | C8 | C9 | C10 | 95.2° | 127.4° |
C8 | C7 | C6 | H6 | 27.0° | 60.0° |
C8 | C7 | C6 | H6A | 146.6° | 59.9° |
C8 | C7 | H7 | H7A | 118.9° | 119.9° |
C7 | C8 | H8 | H8A | 119.0° | 119.9° |
C7 | C8 | C9 | H9 | 84.8° | 52.6° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C8 | C9 | C10 | C11 | 0.2° | 7.1° |
C9 | C8 | C7 | H7 | 141.8° | 60.0° |
C9 | C8 | C7 | H7A | 98.9° | 59.9° |
C9 | C8 | H8 | H8A | 118.9° | 120.0° |
C8 | C9 | C10 | H10 | 179.8° | 172.9° |
C9 | C10 | C11 | H10 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 171.7° | 127.4° |
C10 | C9 | C8 | H8 | 144.5° | 7.4° |
C10 | C9 | C8 | H8A | 25.1° | 112.6° |
C9 | C10 | C11 | H11 | 68.1° | 112.6° |
C9 | C10 | C11 | H11A | 51.5° | 7.4° |
C10 | C11 | C12 | H11 | 120.2° | 120.0° |
C10 | C11 | C12 | H11A | 120.2° | 120.0° |
C10 | C11 | C12 | C13 | 164.9° | 180.0° |
C11 | C10 | C9 | H9 | 179.8° | 172.9° |
C10 | C11 | H11 | H11A | 119.4° | 120.0° |
C10 | C11 | C12 | H12 | 74.7° | 60.0° |
C10 | C11 | C12 | H12A | 44.6° | 60.0° |
C11 | C12 | C13 | H12 | 120.3° | 120.0° |
C11 | C12 | C13 | H12A | 120.3° | 120.0° |
C11 | C12 | C13 | C14 | 167.7° | 180.0° |
C12 | C11 | C10 | H10 | 8.3° | 52.6° |
C12 | C11 | H11 | H11A | 119.4° | 120.1° |
C11 | C12 | H12 | H12A | 119.0° | 120.0° |
C11 | C12 | C13 | H13 | 47.5° | 60.0° |
C11 | C12 | C13 | H13A | 72.1° | 60.0° |
C12 | C13 | C14 | H13 | 120.2° | 120.0° |
C12 | C13 | C14 | H13A | 120.2° | 120.0° |
C12 | C13 | C14 | C15 | 153.8° | NaN° |
C13 | C12 | C11 | H11 | 44.8° | 60.0° |
C13 | C12 | C11 | H11A | 74.9° | 60.0° |
C13 | C12 | H12 | H12A | 119.0° | 120.0° |
C12 | C13 | H13 | H13A | 119.5° | 120.0° |
C12 | C13 | C14 | H14 | 33.5° | 60.0° |
C12 | C13 | C14 | H14A | 85.9° | 59.9° |
C13 | C14 | C15 | H14 | 120.3° | 120.0° |
C13 | C14 | C15 | H14A | 120.3° | 120.0° |
C13 | C14 | C15 | C16 | 149.3° | 180.0° |
C14 | C13 | C12 | H12 | 72.0° | 60.0° |
C14 | C13 | C12 | H12A | 47.4° | 60.0° |
C14 | C13 | H13 | H13A | 119.5° | 120.0° |
C13 | C14 | H14 | H14A | 119.2° | 120.0° |
C13 | C14 | C15 | H15 | 29.0° | 60.0° |
C13 | C14 | C15 | H15A | 90.5° | 60.0° |
C14 | C15 | C16 | H15 | 120.2° | 120.0° |
C14 | C15 | C16 | H15A | 120.2° | 120.0° |
C15 | C14 | C13 | H13 | 86.0° | 60.0° |
C15 | C14 | C13 | H13A | 33.6° | 60.0° |
C15 | C14 | H14 | H14A | 119.1° | 120.0° |
C14 | C15 | H15 | H15A | 119.3° | 120.0° |
C14 | C15 | C16 | H16 | 180.0° | 60.0° |
C14 | C15 | C16 | H16A | 60.0° | 60.0° |
C14 | C15 | C16 | H16B | 60.0° | 180.0° |
C16 | C15 | C14 | H14 | 90.5° | 60.0° |
C16 | C15 | C14 | H14A | 29.0° | 60.0° |
C16 | C15 | H15 | H15A | 119.3° | 120.0° |
C15 | C16 | H16 | H16A | 120.0° | 120.0° |
C15 | C16 | H16 | H16B | 120.0° | 120.0° |
C15 | C16 | H16A | H16B | 120.0° | 120.1° |
H31 | C31 | H31A | H31B | 120.0° | 120.0° |
H30 | C30 | H30A | H30B | 120.0° | 119.9° |
H32 | C32 | O33 | HO33 | 63.1° | 180.0° |
HN36 | N36 | C37 | H37 | 149.5° | 119.9° |
HN36 | N36 | C37 | H37A | 28.0° | 120.0° |
H37 | C37 | C38 | H38 | 61.2° | 180.0° |
H37 | C37 | C38 | H38A | 58.2° | 60.0° |
H37A | C37 | C38 | H38 | 177.3° | 60.0° |
H37A | C37 | C38 | H38A | 63.3° | 180.0° |
HN41 | N41 | C42 | H42 | 146.6° | 120.0° |
HN41 | N41 | C42 | H42A | 91.9° | 120.0° |
H42 | C42 | C43 | H43 | 170.5° | 180.0° |
H42 | C42 | C43 | H43A | 69.4° | 60.0° |
H42A | C42 | C43 | H43 | 49.1° | 60.1° |
H42A | C42 | C43 | H43A | 169.2° | 180.0° |
H2 | C2 | C3 | H3 | 179.4° | 180.0° |
H2 | C2 | C3 | H3A | 59.9° | 60.0° |
H2A | C2 | C3 | H3 | 61.2° | 60.0° |
H2A | C2 | C3 | H3A | 179.3° | 180.0° |
H3 | C3 | C4 | H4 | 142.0° | NaN° |
H3 | C3 | C4 | H4A | 98.3° | 60.0° |
H3A | C3 | C4 | H4 | 22.5° | 60.1° |
H3A | C3 | C4 | H4A | 142.2° | 180.0° |
H4 | C4 | C5 | H5 | 179.0° | 180.0° |
H4 | C4 | C5 | H5A | 59.7° | 60.0° |
H4A | C4 | C5 | H5 | 61.2° | 60.0° |
H4A | C4 | C5 | H5A | 179.4° | 180.0° |
H5 | C5 | C6 | H6 | 109.1° | 180.0° |
H5 | C5 | C6 | H6A | 131.4° | 60.1° |
H5A | C5 | C6 | H6 | 10.3° | 60.0° |
H5A | C5 | C6 | H6A | 109.3° | 180.0° |
H6 | C6 | C7 | H7 | 93.3° | NaN° |
H6 | C6 | C7 | H7A | 147.3° | 60.0° |
H6A | C6 | C7 | H7 | 26.3° | 60.1° |
H6A | C6 | C7 | H7A | 93.1° | 180.0° |
H7 | C7 | C8 | H8 | 21.5° | 180.0° |
H7 | C7 | C8 | H8A | 97.8° | 60.0° |
H7A | C7 | C8 | H8 | 140.8° | 60.1° |
H7A | C7 | C8 | H8A | 21.5° | 180.0° |
H8 | C8 | C9 | H9 | 35.6° | 172.6° |
H8A | C8 | C9 | H9 | 154.9° | 67.4° |
H9 | C9 | C10 | H10 | 0.2° | 7.1° |
H10 | C10 | C11 | H11 | 111.9° | 67.4° |
H10 | C10 | C11 | H11A | 128.5° | 172.6° |
H11 | C11 | C12 | H12 | 165.1° | 180.0° |
H11 | C11 | C12 | H12A | 75.6° | 60.0° |
H11A | C11 | C12 | H12 | 45.5° | 60.0° |
H11A | C11 | C12 | H12A | 164.8° | 180.0° |
H12 | C12 | C13 | H13 | 167.9° | NaN° |
H12 | C12 | C13 | H13A | 48.2° | 60.0° |
H12A | C12 | C13 | H13 | 72.8° | 60.0° |
H12A | C12 | C13 | H13A | 167.6° | 180.0° |
H13 | C13 | C14 | H14 | 153.7° | 180.0° |
H13 | C13 | C14 | H14A | 34.3° | 60.0° |
H13A | C13 | C14 | H14 | 86.6° | 60.0° |
H13A | C13 | C14 | H14A | 153.9° | 179.9° |
H14 | C14 | C15 | H15 | 149.3° | 179.9° |
H14 | C14 | C15 | H15A | 29.8° | 60.0° |
H14A | C14 | C15 | H15 | 91.3° | 60.1° |
H14A | C14 | C15 | H15A | 149.2° | 180.0° |
H15 | C15 | C16 | H16 | 59.8° | 180.0° |
H15 | C15 | C16 | H16A | 179.8° | 60.0° |
H15 | C15 | C16 | H16B | 60.3° | 60.1° |
H15A | C15 | C16 | H16 | 59.8° | 60.0° |
H15A | C15 | C16 | H16A | 60.2° | 180.0° |
H15A | C15 | C16 | H16B | 179.8° | 60.0° |
H16 | C16 | H16A | H16B | 120.0° | 119.9° |
O28 | P24 | O23 | HO23 | 178.0° | 60.0° |