DMQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.24Å | 1.22Å | |
C1 | N2 | sing | 1.40Å | 1.36Å | |
C1 | N7 | sing | 1.40Å | 1.37Å | |
N2 | C2 | sing | 1.46Å | 1.47Å | |
N2 | C3 | sing | 1.47Å | 1.48Å | |
C2 | C20 | sing | 1.50Å | 1.51Å | |
C2 | H21A | sing | 1.10Å | 1.12Å | |
C2 | H22A | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C3 | C31 | sing | 1.54Å | 1.54Å | |
C3 | H3 | sing | 1.10Å | 1.12Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | C5 | sing | 1.52Å | 1.52Å | |
C4 | H4 | sing | 1.10Å | 1.12Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.41Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | H5 | sing | 1.10Å | 1.11Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C6 | N7 | sing | 1.48Å | 1.49Å | |
C6 | C61 | sing | 1.54Å | 1.55Å | |
C6 | H6 | sing | 1.10Å | 1.11Å | |
C7 | N7 | sing | 1.46Å | 1.47Å | |
C7 | C70 | sing | 1.50Å | 1.51Å | |
C7 | H71A | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.10Å | 1.12Å | |
C20 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
C20 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
C21 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C23 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C28 | N29 | sing | 1.41Å | 1.42Å | |
C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
N29 | HN21 | sing | 1.00Å | 1.02Å | |
N29 | HN22 | sing | 1.00Å | 1.02Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C31 | C32 | sing | 1.50Å | 1.51Å | |
C31 | H311 | sing | 1.09Å | 1.11Å | |
C31 | H312 | sing | 1.09Å | 1.11Å | |
C32 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
C32 | C37 | sing | 1.39Å | 1.42Å | Aromatic |
C33 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C34 | C35 | doub | 1.40Å | 1.41Å | Aromatic |
C34 | H34 | sing | 1.09Å | 1.10Å | |
C35 | C36 | sing | 1.39Å | 1.42Å | Aromatic |
C35 | H35 | sing | 1.09Å | 1.10Å | |
C36 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
C36 | H36 | sing | 1.09Å | 1.10Å | |
C37 | H37 | sing | 1.09Å | 1.10Å | |
C61 | C62 | sing | 1.50Å | 1.51Å | |
C61 | H611 | sing | 1.09Å | 1.11Å | |
C61 | H612 | sing | 1.09Å | 1.12Å | |
C62 | C63 | doub | 1.39Å | 1.41Å | Aromatic |
C62 | C67 | sing | 1.39Å | 1.41Å | Aromatic |
C63 | C64 | sing | 1.39Å | 1.41Å | Aromatic |
C63 | H63 | sing | 1.09Å | 1.10Å | |
C64 | C65 | doub | 1.39Å | 1.42Å | Aromatic |
C64 | H64 | sing | 1.09Å | 1.10Å | |
C65 | C66 | sing | 1.40Å | 1.41Å | Aromatic |
C65 | H65 | sing | 1.09Å | 1.10Å | |
C66 | C67 | doub | 1.40Å | 1.41Å | Aromatic |
C66 | H66 | sing | 1.09Å | 1.10Å | |
C67 | H67 | sing | 1.09Å | 1.10Å | |
C70 | C71 | doub | 1.39Å | 1.41Å | Aromatic |
C70 | C79 | sing | 1.39Å | 1.42Å | Aromatic |
C71 | C72 | sing | 1.40Å | 1.41Å | Aromatic |
C71 | H71 | sing | 1.09Å | 1.10Å | |
C72 | N79 | sing | 1.41Å | 1.43Å | |
C72 | C77 | doub | 1.40Å | 1.41Å | Aromatic |
N79 | HN71 | sing | 1.00Å | 1.02Å | |
N79 | HN72 | sing | 1.00Å | 1.02Å | |
C77 | C78 | sing | 1.39Å | 1.41Å | Aromatic |
C77 | H77 | sing | 1.09Å | 1.10Å | |
C78 | C79 | doub | 1.40Å | 1.41Å | Aromatic |
C78 | H78 | sing | 1.09Å | 1.10Å | |
C79 | H79 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | N2 | 117.1° | 121.3° |
O1 | C1 | N7 | 118.9° | 121.3° |
N2 | C1 | N7 | 124.0° | 117.3° |
C1 | N2 | C2 | 117.7° | 118.1° |
C1 | N2 | C3 | 124.5° | 123.8° |
C1 | N7 | C6 | 124.9° | 123.8° |
C1 | N7 | C7 | 118.2° | 118.1° |
C2 | N2 | C3 | 116.7° | 115.7° |
N2 | C2 | C20 | 117.2° | 112.0° |
N2 | C2 | H21A | 109.4° | 107.9° |
N2 | C2 | H22A | 109.4° | 107.8° |
N2 | C3 | C4 | 118.0° | 113.8° |
N2 | C3 | C31 | 109.3° | 111.4° |
N2 | C3 | H3 | 105.7° | 106.0° |
C20 | C2 | H21A | 109.4° | 110.6° |
C20 | C2 | H22A | 109.4° | 111.1° |
C2 | C20 | C21 | 121.3° | 119.5° |
C2 | C20 | C29 | 118.3° | 119.7° |
H21A | C2 | H22A | 100.7° | 107.3° |
C4 | C3 | C31 | 115.4° | 114.3° |
C4 | C3 | H3 | 98.0° | 105.8° |
C3 | C4 | O4 | 104.3° | 107.7° |
C3 | C4 | C5 | 111.0° | 114.2° |
C3 | C4 | H4 | 112.8° | 110.2° |
C31 | C3 | H3 | 109.0° | 104.4° |
C3 | C31 | C32 | 111.7° | 111.3° |
C3 | C31 | H311 | 111.4° | 109.0° |
C3 | C31 | H312 | 111.4° | 109.0° |
O4 | C4 | C5 | 112.2° | 108.5° |
O4 | C4 | H4 | 111.7° | 106.0° |
C4 | O4 | HO4 | 104.3° | 106.1° |
C5 | C4 | H4 | 105.0° | 109.9° |
C4 | C5 | O5 | 111.6° | 108.9° |
C4 | C5 | C6 | 111.4° | 114.5° |
C4 | C5 | H5 | 105.5° | 109.5° |
O5 | C5 | C6 | 105.3° | 108.7° |
O5 | C5 | H5 | 111.6° | 105.3° |
C5 | O5 | HO5 | 111.5° | 106.1° |
C6 | C5 | H5 | 111.7° | 109.5° |
C5 | C6 | N7 | 117.9° | 113.5° |
C5 | C6 | C61 | 115.7° | 114.8° |
C5 | C6 | H6 | 97.9° | 105.9° |
N7 | C6 | C61 | 109.7° | 111.2° |
N7 | C6 | H6 | 105.6° | 106.1° |
C6 | N7 | C7 | 116.4° | 115.7° |
C61 | C6 | H6 | 108.5° | 104.4° |
C6 | C61 | C62 | 111.8° | 111.3° |
C6 | C61 | H611 | 111.4° | 109.0° |
C6 | C61 | H612 | 111.3° | 109.0° |
N7 | C7 | C70 | 118.4° | 112.0° |
N7 | C7 | H71A | 109.0° | 108.0° |
N7 | C7 | H72 | 109.0° | 107.8° |
C70 | C7 | H71A | 109.0° | 110.6° |
C70 | C7 | H72 | 109.0° | 111.0° |
C7 | C70 | C71 | 118.3° | 119.6° |
C7 | C70 | C79 | 121.4° | 119.6° |
H71A | C7 | H72 | 101.0° | 107.3° |
C21 | C20 | C29 | 120.5° | 120.7° |
C20 | C21 | C22 | 120.4° | 119.6° |
C20 | C21 | H21 | 120.2° | 120.9° |
C20 | C29 | C28 | 118.9° | 119.7° |
C20 | C29 | H29 | 120.6° | 120.2° |
C22 | C21 | H21 | 119.4° | 119.5° |
C21 | C22 | C23 | 119.0° | 120.0° |
C21 | C22 | H22 | 120.5° | 120.0° |
C23 | C22 | H22 | 120.5° | 120.0° |
C22 | C23 | C28 | 120.3° | 119.9° |
C22 | C23 | H23 | 119.8° | 119.4° |
C28 | C23 | H23 | 119.9° | 120.6° |
C23 | C28 | N29 | 119.5° | 120.0° |
C23 | C28 | C29 | 121.0° | 120.0° |
N29 | C28 | C29 | 119.5° | 120.0° |
C28 | N29 | HN21 | 119.6° | 119.2° |
C28 | N29 | HN22 | 108.6° | 119.2° |
C28 | C29 | H29 | 120.5° | 120.1° |
HN21 | N29 | HN22 | 108.6° | 121.3° |
C32 | C31 | H311 | 111.4° | 110.3° |
C32 | C31 | H312 | 111.4° | 110.4° |
C31 | C32 | C33 | 119.8° | 119.7° |
C31 | C32 | C37 | 119.4° | 119.6° |
H311 | C31 | H312 | 99.0° | 106.7° |
C33 | C32 | C37 | 120.8° | 120.7° |
C32 | C33 | C34 | 119.7° | 119.6° |
C32 | C33 | H33 | 120.3° | 120.9° |
C32 | C37 | C36 | 119.3° | 119.7° |
C32 | C37 | H37 | 120.7° | 120.9° |
C34 | C33 | H33 | 120.0° | 119.5° |
C33 | C34 | C35 | 119.8° | 120.0° |
C33 | C34 | H34 | 120.0° | 120.0° |
C35 | C34 | H34 | 120.2° | 120.0° |
C34 | C35 | C36 | 120.5° | 120.0° |
C34 | C35 | H35 | 119.5° | 119.9° |
C36 | C35 | H35 | 120.0° | 120.0° |
C35 | C36 | C37 | 119.8° | 120.0° |
C35 | C36 | H36 | 120.4° | 120.0° |
C37 | C36 | H36 | 119.8° | 120.0° |
C36 | C37 | H37 | 120.0° | 119.5° |
C62 | C61 | H611 | 111.4° | 110.4° |
C62 | C61 | H612 | 111.4° | 110.4° |
C61 | C62 | C63 | 119.0° | 119.6° |
C61 | C62 | C67 | 120.7° | 119.6° |
H611 | C61 | H612 | 99.0° | 106.7° |
C63 | C62 | C67 | 120.2° | 120.7° |
C62 | C63 | C64 | 120.1° | 119.6° |
C62 | C63 | H63 | 120.1° | 120.9° |
C62 | C67 | C66 | 119.9° | 119.7° |
C62 | C67 | H67 | 120.1° | 120.9° |
C64 | C63 | H63 | 119.9° | 119.5° |
C63 | C64 | C65 | 119.6° | 120.0° |
C63 | C64 | H64 | 120.0° | 120.0° |
C65 | C64 | H64 | 120.4° | 120.0° |
C64 | C65 | C66 | 120.4° | 120.0° |
C64 | C65 | H65 | 120.0° | 120.1° |
C66 | C65 | H65 | 119.6° | 119.9° |
C65 | C66 | C67 | 119.8° | 120.0° |
C65 | C66 | H66 | 120.1° | 120.0° |
C67 | C66 | H66 | 120.1° | 120.0° |
C66 | C67 | H67 | 120.0° | 119.5° |
C71 | C70 | C79 | 120.2° | 120.8° |
C70 | C71 | C72 | 118.7° | 119.6° |
C70 | C71 | H71 | 120.7° | 120.3° |
C70 | C79 | C78 | 120.8° | 119.6° |
C70 | C79 | H79 | 120.1° | 120.9° |
C72 | C71 | H71 | 120.6° | 120.1° |
C71 | C72 | N79 | 119.7° | 120.0° |
C71 | C72 | C77 | 121.0° | 120.0° |
N79 | C72 | C77 | 119.2° | 119.9° |
C72 | N79 | HN71 | 119.7° | 119.2° |
C72 | N79 | HN72 | 108.5° | 119.2° |
C72 | C77 | C78 | 120.5° | 119.9° |
C72 | C77 | H77 | 119.8° | 120.6° |
HN71 | N79 | HN72 | 108.5° | 121.3° |
C78 | C77 | H77 | 119.6° | 119.4° |
C77 | C78 | C79 | 118.6° | 120.0° |
C77 | C78 | H78 | 120.7° | 120.0° |
C79 | C78 | H78 | 120.7° | 120.0° |
C78 | C79 | H79 | 119.1° | 119.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | N2 | N7 | 179.7° | 179.9° |
O1 | C1 | N2 | C2 | 18.1° | 17.6° |
O1 | C1 | N2 | C3 | 149.6° | 143.7° |
O1 | C1 | N7 | C6 | 158.3° | 144.2° |
O1 | C1 | N7 | C7 | 13.1° | 17.5° |
C1 | N2 | C2 | C3 | 168.7° | 162.9° |
C1 | N2 | C2 | C20 | 135.4° | 90.0° |
C1 | N2 | C2 | H21A | 99.3° | 32.0° |
C1 | N2 | C2 | H22A | 10.1° | 147.6° |
C1 | N2 | C3 | C4 | 66.3° | 77.9° |
C1 | N2 | C3 | C31 | 68.2° | 53.2° |
C1 | N2 | C3 | H3 | 174.6° | 166.2° |
N2 | C1 | N7 | C6 | 22.0° | 35.7° |
N2 | C1 | N7 | C7 | 166.6° | 162.6° |
N7 | C1 | N2 | C2 | 162.2° | 162.3° |
N7 | C1 | N2 | C3 | 30.1° | 36.4° |
C1 | N7 | C6 | C5 | 62.7° | 77.8° |
C1 | N7 | C6 | C7 | 171.5° | 162.0° |
C1 | N7 | C6 | C61 | 72.5° | 53.4° |
C1 | N7 | C6 | H6 | 170.7° | 166.3° |
C1 | N7 | C7 | C70 | 131.9° | 90.0° |
C1 | N7 | C7 | H71A | 102.8° | 32.0° |
C1 | N7 | C7 | H72 | 6.6° | 147.6° |
N2 | C2 | C20 | H21A | 125.3° | 120.4° |
N2 | C2 | C20 | H22A | 125.3° | 120.6° |
N2 | C2 | H21A | H22A | 115.2° | 115.9° |
C2 | N2 | C3 | C4 | 125.9° | 120.3° |
C2 | N2 | C3 | C31 | 99.6° | 108.6° |
C2 | N2 | C3 | H3 | 17.6° | 4.4° |
N2 | C2 | C20 | C21 | 46.3° | 90.0° |
N2 | C2 | C20 | C29 | 133.2° | 89.9° |
C3 | N2 | C2 | C20 | 55.9° | 107.2° |
C3 | N2 | C2 | H21A | 69.4° | 130.9° |
C3 | N2 | C2 | H22A | 178.8° | 15.3° |
N2 | C3 | C4 | C31 | 131.8° | 129.7° |
N2 | C3 | C4 | H3 | 112.6° | 116.0° |
N2 | C3 | C31 | H3 | 115.1° | 114.0° |
N2 | C3 | C4 | O4 | 167.2° | 170.6° |
N2 | C3 | C4 | C5 | 71.7° | 68.8° |
N2 | C3 | C4 | H4 | 45.9° | 55.4° |
N2 | C3 | C31 | C32 | 65.7° | 74.0° |
N2 | C3 | C31 | H311 | 169.1° | 47.9° |
N2 | C3 | C31 | H312 | 59.6° | 164.1° |
C20 | C2 | H21A | H22A | 115.1° | 121.3° |
C2 | C20 | C21 | C29 | 179.5° | 179.9° |
C2 | C20 | C21 | C22 | 179.0° | 179.9° |
C2 | C20 | C21 | H21 | 1.0° | 0.0° |
C2 | C20 | C29 | C28 | 179.1° | 179.9° |
C2 | C20 | C29 | H29 | 0.9° | 0.0° |
H21A | C2 | C20 | C21 | 171.6° | 149.6° |
H21A | C2 | C20 | C29 | 7.9° | 30.5° |
H22A | C2 | C20 | C21 | 79.0° | 30.6° |
H22A | C2 | C20 | C29 | 101.5° | 149.5° |
C4 | C3 | C31 | H3 | 109.1° | 115.2° |
C3 | C4 | O4 | C5 | 120.3° | 124.1° |
C3 | C4 | O4 | H4 | 122.1° | 117.9° |
C3 | C4 | C5 | H4 | 122.2° | 124.4° |
C3 | C4 | O4 | HO4 | 180.0° | 157.7° |
C3 | C4 | C5 | O5 | 173.1° | 177.7° |
C3 | C4 | C5 | C6 | 69.6° | 60.5° |
C3 | C4 | C5 | H5 | 51.8° | 63.0° |
C4 | C3 | C31 | C32 | 158.5° | 155.2° |
C4 | C3 | C31 | H311 | 33.2° | 82.9° |
C4 | C3 | C31 | H312 | 76.2° | 33.2° |
C31 | C3 | C4 | O4 | 60.9° | 59.8° |
C31 | C3 | C4 | C5 | 60.2° | 60.9° |
C31 | C3 | C4 | H4 | 177.7° | 174.9° |
C3 | C31 | C32 | H311 | 125.3° | 121.1° |
C3 | C31 | C32 | H312 | 125.2° | 121.2° |
C3 | C31 | H311 | H312 | 117.3° | 117.6° |
C3 | C31 | C32 | C33 | 107.1° | 90.0° |
C3 | C31 | C32 | C37 | 70.9° | 90.0° |
H3 | C3 | C4 | O4 | 54.6° | 54.6° |
H3 | C3 | C4 | C5 | 175.8° | 175.2° |
H3 | C3 | C4 | H4 | 66.7° | 60.6° |
H3 | C3 | C31 | C32 | 49.4° | 40.0° |
H3 | C3 | C31 | H311 | 75.8° | 161.9° |
H3 | C3 | C31 | H312 | 174.7° | 81.9° |
O4 | C4 | C5 | H4 | 121.5° | 115.4° |
O4 | C4 | C5 | O5 | 56.7° | 57.5° |
O4 | C4 | C5 | C6 | 174.1° | 179.4° |
O4 | C4 | C5 | H5 | 64.5° | 57.2° |
C5 | C4 | O4 | HO4 | 59.7° | 33.5° |
C4 | C5 | O5 | C6 | 121.0° | 125.3° |
C4 | C5 | O5 | H5 | 117.7° | 117.4° |
C4 | C5 | C6 | H5 | 117.6° | 123.5° |
C4 | C5 | O5 | HO5 | 180.0° | 136.5° |
C4 | C5 | C6 | N7 | 72.4° | 69.4° |
C4 | C5 | C6 | C61 | 60.3° | 60.1° |
C4 | C5 | C6 | H6 | 175.2° | 174.7° |
H4 | C4 | O4 | HO4 | 57.9° | 84.4° |
H4 | C4 | C5 | O5 | 64.8° | 57.9° |
H4 | C4 | C5 | C6 | 52.6° | 63.9° |
H4 | C4 | C5 | H5 | 174.0° | 172.6° |
O5 | C5 | C6 | H5 | 121.3° | 114.6° |
O5 | C5 | C6 | N7 | 166.5° | 168.7° |
O5 | C5 | C6 | C61 | 60.8° | 61.9° |
O5 | C5 | C6 | H6 | 54.1° | 52.7° |
C6 | C5 | O5 | HO5 | 59.0° | 11.2° |
C5 | C6 | N7 | C61 | 135.2° | 131.3° |
C5 | C6 | N7 | H6 | 108.0° | 115.9° |
C5 | C6 | C61 | H6 | 108.8° | 115.5° |
C5 | C6 | N7 | C7 | 125.8° | 120.1° |
C5 | C6 | C61 | C62 | 154.3° | 155.5° |
C5 | C6 | C61 | H611 | 29.0° | 82.6° |
C5 | C6 | C61 | H612 | 80.5° | 33.5° |
H5 | C5 | O5 | HO5 | 62.3° | 106.1° |
H5 | C5 | C6 | N7 | 45.3° | 54.1° |
H5 | C5 | C6 | C61 | 177.9° | 176.5° |
H5 | C5 | C6 | H6 | 67.1° | 61.8° |
N7 | C6 | C61 | H6 | 114.9° | 113.9° |
C6 | N7 | C7 | C70 | 56.0° | 106.9° |
C6 | N7 | C7 | H71A | 69.3° | 131.1° |
C6 | N7 | C7 | H72 | 178.7° | 15.5° |
N7 | C6 | C61 | C62 | 69.4° | 74.0° |
N7 | C6 | C61 | H611 | 165.3° | 48.0° |
N7 | C6 | C61 | H612 | 55.8° | 164.0° |
C61 | C6 | N7 | C7 | 99.0° | 108.6° |
C6 | C61 | C62 | H611 | 125.3° | 121.2° |
C6 | C61 | C62 | H612 | 125.2° | 121.2° |
C6 | C61 | H611 | H612 | 117.2° | 117.5° |
C6 | C61 | C62 | C63 | 77.3° | 90.0° |
C6 | C61 | C62 | C67 | 99.0° | 90.0° |
H6 | C6 | N7 | C7 | 17.7° | 4.3° |
H6 | C6 | C61 | C62 | 45.5° | 40.0° |
H6 | C6 | C61 | H611 | 79.8° | 161.9° |
H6 | C6 | C61 | H612 | 170.7° | 82.0° |
N7 | C7 | C70 | H71A | 125.3° | 120.5° |
N7 | C7 | C70 | H72 | 125.3° | 120.5° |
N7 | C7 | H71A | H72 | 114.7° | 115.9° |
N7 | C7 | C70 | C71 | 132.6° | 89.9° |
N7 | C7 | C70 | C79 | 47.9° | 89.9° |
C70 | C7 | H71A | H72 | 114.7° | 121.2° |
C7 | C70 | C71 | C79 | 179.5° | 179.8° |
C7 | C70 | C71 | C72 | 179.7° | 180.0° |
C7 | C70 | C71 | H71 | 0.3° | 0.1° |
C7 | C70 | C79 | C78 | 179.4° | 179.9° |
C7 | C70 | C79 | H79 | 0.5° | 0.1° |
H71A | C7 | C70 | C71 | 7.3° | 30.6° |
H71A | C7 | C70 | C79 | 173.2° | 149.6° |
H72 | C7 | C70 | C71 | 102.1° | 149.6° |
H72 | C7 | C70 | C79 | 77.3° | 30.6° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C20 | C21 | C22 | C23 | 0.3° | 0.0° |
C20 | C21 | C22 | H22 | 179.7° | 179.9° |
C21 | C20 | C29 | C28 | 0.4° | 0.0° |
C21 | C20 | C29 | H29 | 179.6° | 180.0° |
C29 | C20 | C21 | C22 | 0.4° | 0.0° |
C29 | C20 | C21 | H21 | 179.6° | 180.0° |
C20 | C29 | C28 | C23 | 0.2° | 0.0° |
C20 | C29 | C28 | N29 | 177.4° | 180.0° |
C20 | C29 | C28 | H29 | 180.0° | 180.0° |
C21 | C22 | C23 | H22 | 180.0° | 180.0° |
C21 | C22 | C23 | C28 | 0.1° | 0.0° |
C21 | C22 | C23 | H23 | 179.9° | 180.0° |
H21 | C21 | C22 | C23 | 179.7° | 180.0° |
H21 | C21 | C22 | H22 | 0.3° | 0.1° |
C22 | C23 | C28 | H23 | 180.0° | 179.9° |
C22 | C23 | C28 | N29 | 177.5° | 180.0° |
C22 | C23 | C28 | C29 | 0.0° | 0.0° |
H22 | C22 | C23 | C28 | 180.0° | 179.9° |
H22 | C22 | C23 | H23 | 0.1° | 0.0° |
C23 | C28 | N29 | C29 | 177.6° | 179.9° |
C23 | C28 | N29 | HN21 | 179.9° | 124.5° |
C23 | C28 | N29 | HN22 | 54.7° | 49.3° |
C23 | C28 | C29 | H29 | 179.8° | 179.9° |
H23 | C23 | C28 | N29 | 2.5° | 0.1° |
H23 | C23 | C28 | C29 | 179.9° | 180.0° |
C28 | N29 | HN21 | HN22 | 125.4° | 173.7° |
N29 | C28 | C29 | H29 | 2.6° | 0.0° |
C29 | C28 | N29 | HN21 | 2.5° | 55.6° |
C29 | C28 | N29 | HN22 | 122.8° | 130.6° |
C32 | C31 | H311 | H312 | 117.3° | 119.9° |
C31 | C32 | C33 | C37 | 178.1° | 180.0° |
C31 | C32 | C33 | C34 | 177.8° | 180.0° |
C31 | C32 | C33 | H33 | 2.2° | 0.0° |
C31 | C32 | C37 | C36 | 177.7° | 180.0° |
C31 | C32 | C37 | H37 | 2.3° | 0.0° |
H311 | C31 | C32 | C33 | 127.6° | 31.1° |
H311 | C31 | C32 | C37 | 54.3° | 148.8° |
H312 | C31 | C32 | C33 | 18.1° | 148.8° |
H312 | C31 | C32 | C37 | 163.8° | 31.1° |
C32 | C33 | C34 | H33 | 180.0° | 180.0° |
C32 | C33 | C34 | C35 | 0.1° | 0.0° |
C32 | C33 | C34 | H34 | 179.9° | 180.0° |
C33 | C32 | C37 | C36 | 0.3° | 0.0° |
C33 | C32 | C37 | H37 | 179.6° | 180.0° |
C37 | C32 | C33 | C34 | 0.3° | 0.0° |
C37 | C32 | C33 | H33 | 179.8° | 180.0° |
C32 | C37 | C36 | C35 | 0.3° | 0.0° |
C32 | C37 | C36 | H37 | 180.0° | 180.0° |
C32 | C37 | C36 | H36 | 179.7° | 180.0° |
C33 | C34 | C35 | H34 | 180.0° | 179.9° |
C33 | C34 | C35 | C36 | 0.1° | 0.0° |
C33 | C34 | C35 | H35 | 180.0° | 180.0° |
H33 | C33 | C34 | C35 | 179.9° | 180.0° |
H33 | C33 | C34 | H34 | 0.1° | 0.0° |
C34 | C35 | C36 | H35 | 180.0° | 179.9° |
C34 | C35 | C36 | C37 | 0.1° | 0.0° |
C34 | C35 | C36 | H36 | 179.8° | 180.0° |
H34 | C34 | C35 | C36 | 179.9° | 180.0° |
H34 | C34 | C35 | H35 | 0.1° | 0.1° |
C35 | C36 | C37 | H36 | 180.0° | 180.0° |
C35 | C36 | C37 | H37 | 179.7° | 179.9° |
H35 | C35 | C36 | C37 | 179.9° | 180.0° |
H35 | C35 | C36 | H36 | 0.1° | 0.0° |
H36 | C36 | C37 | H37 | 0.3° | 0.0° |
C62 | C61 | H611 | H612 | 117.2° | 119.9° |
C61 | C62 | C63 | C67 | 176.2° | 180.0° |
C61 | C62 | C63 | C64 | 175.5° | 180.0° |
C61 | C62 | C63 | H63 | 4.6° | 0.0° |
C61 | C62 | C67 | C66 | 175.2° | 180.0° |
C61 | C62 | C67 | H67 | 4.8° | 0.1° |
H611 | C61 | C62 | C63 | 48.1° | 31.2° |
H611 | C61 | C62 | C67 | 135.7° | 148.8° |
H612 | C61 | C62 | C63 | 157.5° | 148.8° |
H612 | C61 | C62 | C67 | 26.3° | 31.1° |
C62 | C63 | C64 | H63 | 180.0° | 180.0° |
C62 | C63 | C64 | C65 | 0.1° | 0.1° |
C62 | C63 | C64 | H64 | 180.0° | 180.0° |
C63 | C62 | C67 | C66 | 1.0° | 0.0° |
C63 | C62 | C67 | H67 | 179.0° | 180.0° |
C67 | C62 | C63 | C64 | 0.8° | 0.0° |
C67 | C62 | C63 | H63 | 179.2° | 180.0° |
C62 | C67 | C66 | C65 | 0.4° | 0.1° |
C62 | C67 | C66 | H67 | 180.0° | 179.9° |
C62 | C67 | C66 | H66 | 179.6° | 180.0° |
C63 | C64 | C65 | H64 | 180.0° | 179.9° |
C63 | C64 | C65 | C66 | 0.5° | 0.0° |
C63 | C64 | C65 | H65 | 179.5° | 180.0° |
H63 | C63 | C64 | C65 | 179.9° | 180.0° |
H63 | C63 | C64 | H64 | 0.1° | 0.1° |
C64 | C65 | C66 | H65 | 180.0° | 180.0° |
C64 | C65 | C66 | C67 | 0.3° | 0.0° |
C64 | C65 | C66 | H66 | 179.7° | 180.0° |
H64 | C64 | C65 | C66 | 179.5° | 180.0° |
H64 | C64 | C65 | H65 | 0.5° | 0.1° |
C65 | C66 | C67 | H66 | 180.0° | 180.0° |
C65 | C66 | C67 | H67 | 179.6° | 180.0° |
H65 | C65 | C66 | C67 | 179.7° | 180.0° |
H65 | C65 | C66 | H66 | 0.3° | 0.0° |
H66 | C66 | C67 | H67 | 0.4° | 0.1° |
C70 | C71 | C72 | H71 | 180.0° | 180.0° |
C70 | C71 | C72 | N79 | 177.6° | 180.0° |
C70 | C71 | C72 | C77 | 1.1° | 0.1° |
C71 | C70 | C79 | C78 | 0.0° | 0.1° |
C71 | C70 | C79 | H79 | 180.0° | 179.9° |
C79 | C70 | C71 | C72 | 0.9° | 0.1° |
C79 | C70 | C71 | H71 | 179.1° | 179.9° |
C70 | C79 | C78 | C77 | 0.7° | 0.0° |
C70 | C79 | C78 | H79 | 180.0° | 180.0° |
C70 | C79 | C78 | H78 | 179.3° | 179.9° |
C71 | C72 | N79 | C77 | 178.7° | 179.9° |
C71 | C72 | N79 | HN71 | 180.0° | 122.1° |
C71 | C72 | N79 | HN72 | 54.7° | 51.6° |
C71 | C72 | C77 | C78 | 0.4° | 0.1° |
C71 | C72 | C77 | H77 | 179.5° | 180.0° |
H71 | C71 | C72 | N79 | 2.4° | 0.0° |
H71 | C71 | C72 | C77 | 178.9° | 179.9° |
C72 | N79 | HN71 | HN72 | 125.2° | 173.5° |
N79 | C72 | C77 | C78 | 178.3° | 179.9° |
N79 | C72 | C77 | H77 | 1.8° | 0.1° |
C77 | C72 | N79 | HN71 | 1.3° | 57.8° |
C77 | C72 | N79 | HN72 | 126.6° | 128.5° |
C72 | C77 | C78 | H77 | 179.9° | 180.0° |
C72 | C77 | C78 | C79 | 0.5° | 0.0° |
C72 | C77 | C78 | H78 | 179.5° | 179.9° |
C77 | C78 | C79 | H78 | 180.0° | 179.9° |
C77 | C78 | C79 | H79 | 179.3° | 180.0° |
H77 | C77 | C78 | C79 | 179.6° | 180.0° |
H77 | C77 | C78 | H78 | 0.5° | 0.0° |
H78 | C78 | C79 | H79 | 0.7° | 0.1° |