Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | sing | 1.32Å | 1.34Å | |
C1 | N7 | sing | 1.34Å | 1.35Å | |
C1 | O1 | doub | 1.22Å | 1.22Å | |
C2 | C20 | sing | 1.51Å | 1.52Å | |
C2 | N2 | sing | 1.46Å | 1.47Å | |
C2 | H21A | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.54Å | 1.51Å | |
C3 | C31 | sing | 1.53Å | 1.54Å | |
C3 | N2 | sing | 1.46Å | 1.48Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.52Å | 1.50Å | |
C4 | O4 | sing | 1.43Å | 1.39Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.52Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | C61 | sing | 1.53Å | 1.54Å | |
C6 | N7 | sing | 1.46Å | 1.49Å | |
C6 | H6 | sing | 1.09Å | 1.12Å | |
C7 | C70 | sing | 1.51Å | 1.50Å | |
C7 | N7 | sing | 1.46Å | 1.47Å | |
C7 | H71A | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
C20 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
C21 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
C21 | H21 | sing | 1.08Å | 1.10Å | |
C22 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
C22 | C26 | sing | 1.48Å | 1.51Å | |
C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
C23 | H23 | sing | 1.08Å | 1.10Å | |
C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
C24 | H24 | sing | 1.08Å | 1.10Å | |
C25 | H25 | sing | 1.08Å | 1.10Å | |
C26 | N26 | sing | 1.35Å | 1.34Å | |
C26 | O26 | doub | 1.22Å | 1.22Å | |
C27 | N26 | sing | 1.39Å | 1.46Å | |
C27 | N27 | doub | 1.32Å | 1.33Å | Aromatic |
C27 | S29 | sing | 1.74Å | 1.67Å | Aromatic |
C28 | C29 | doub | 1.36Å | 1.40Å | Aromatic |
C28 | N27 | sing | 1.32Å | 1.38Å | Aromatic |
C28 | H28 | sing | 1.08Å | 1.10Å | |
C29 | S29 | sing | 1.79Å | 1.68Å | Aromatic |
C29 | H29 | sing | 1.08Å | 1.10Å | |
C31 | C32 | sing | 1.51Å | 1.50Å | |
C31 | H311 | sing | 1.09Å | 1.11Å | |
C31 | H312 | sing | 1.09Å | 1.12Å | |
C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
C32 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
C33 | H33 | sing | 1.08Å | 1.10Å | |
C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
C34 | H34 | sing | 1.08Å | 1.10Å | |
C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
C35 | H35 | sing | 1.08Å | 1.10Å | |
C36 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
C36 | H36 | sing | 1.08Å | 1.10Å | |
C37 | H37 | sing | 1.08Å | 1.10Å | |
C61 | C62 | sing | 1.51Å | 1.50Å | |
C61 | H611 | sing | 1.09Å | 1.11Å | |
C61 | H612 | sing | 1.09Å | 1.11Å | |
C62 | C63 | doub | 1.38Å | 1.41Å | Aromatic |
C62 | C67 | sing | 1.38Å | 1.41Å | Aromatic |
C63 | C64 | sing | 1.38Å | 1.40Å | Aromatic |
C63 | H63 | sing | 1.08Å | 1.10Å | |
C64 | C65 | doub | 1.38Å | 1.41Å | Aromatic |
C64 | H64 | sing | 1.08Å | 1.10Å | |
C65 | C66 | sing | 1.38Å | 1.41Å | Aromatic |
C65 | H65 | sing | 1.08Å | 1.10Å | |
C66 | C67 | doub | 1.38Å | 1.41Å | Aromatic |
C66 | H66 | sing | 1.08Å | 1.10Å | |
C67 | H67 | sing | 1.08Å | 1.10Å | |
C70 | C71 | doub | 1.38Å | 1.41Å | Aromatic |
C70 | C75 | sing | 1.38Å | 1.41Å | Aromatic |
C71 | C72 | sing | 1.40Å | 1.42Å | Aromatic |
C71 | H71 | sing | 1.08Å | 1.10Å | |
C72 | C73 | doub | 1.39Å | 1.41Å | Aromatic |
C72 | C76 | sing | 1.48Å | 1.49Å | |
C73 | C74 | sing | 1.38Å | 1.41Å | Aromatic |
C73 | H73 | sing | 1.08Å | 1.10Å | |
C74 | C75 | doub | 1.38Å | 1.42Å | Aromatic |
C74 | H74 | sing | 1.08Å | 1.10Å | |
C75 | H75 | sing | 1.08Å | 1.10Å | |
C76 | N76 | sing | 1.35Å | 1.35Å | |
C76 | O76 | doub | 1.22Å | 1.22Å | |
C77 | N76 | sing | 1.39Å | 1.46Å | |
C77 | N77 | doub | 1.32Å | 1.35Å | Aromatic |
C77 | S79 | sing | 1.74Å | 1.69Å | Aromatic |
C78 | C79 | doub | 1.36Å | 1.41Å | Aromatic |
C78 | N77 | sing | 1.32Å | 1.38Å | Aromatic |
C78 | H78 | sing | 1.08Å | 1.10Å | |
C79 | S79 | sing | 1.79Å | 1.70Å | Aromatic |
C79 | H79 | sing | 1.08Å | 1.10Å | |
N26 | HN6 | sing | 0.97Å | 1.02Å | |
N76 | HN7 | sing | 0.97Å | 1.02Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C1 | N7 | 122.5° | 126.2° |
N2 | C1 | O1 | 118.9° | 116.9° |
C1 | N2 | C2 | 116.9° | 117.9° |
C1 | N2 | C3 | 124.3° | 124.3° |
N7 | C1 | O1 | 118.6° | 116.9° |
C1 | N7 | C6 | 125.4° | 121.2° |
C1 | N7 | C7 | 117.2° | 119.4° |
C20 | C2 | N2 | 117.8° | 109.4° |
C20 | C2 | H21A | 109.2° | 109.5° |
C20 | C2 | H22 | 109.2° | 109.4° |
C2 | C20 | C21 | 117.6° | 120.0° |
C2 | C20 | C25 | 123.0° | 119.9° |
N2 | C2 | H21A | 109.1° | 109.5° |
N2 | C2 | H22 | 109.2° | 109.5° |
C2 | N2 | C3 | 118.2° | 117.8° |
H21A | C2 | H22 | 100.9° | 109.4° |
C4 | C3 | C31 | 115.8° | 108.8° |
C4 | C3 | N2 | 118.5° | 110.8° |
C4 | C3 | H3 | 97.0° | 109.4° |
C3 | C4 | C5 | 113.9° | 112.1° |
C3 | C4 | O4 | 107.6° | 108.9° |
C3 | C4 | H4 | 107.3° | 108.9° |
C31 | C3 | N2 | 109.1° | 109.3° |
C31 | C3 | H3 | 109.1° | 109.2° |
C3 | C31 | C32 | 111.7° | 109.5° |
C3 | C31 | H311 | 111.4° | 109.5° |
C3 | C31 | H312 | 111.4° | 109.4° |
N2 | C3 | H3 | 105.7° | 109.2° |
C5 | C4 | O4 | 108.3° | 109.0° |
C5 | C4 | H4 | 106.6° | 109.0° |
C4 | C5 | C6 | 109.6° | 111.5° |
C4 | C5 | O5 | 110.8° | 109.0° |
C4 | C5 | H5 | 107.7° | 109.1° |
O4 | C4 | H4 | 113.1° | 108.9° |
C4 | O4 | HO4 | 107.6° | 106.8° |
C6 | C5 | O5 | 106.8° | 109.0° |
C6 | C5 | H5 | 111.6° | 109.1° |
C5 | C6 | C61 | 114.7° | 109.2° |
C5 | C6 | N7 | 119.7° | 110.8° |
C5 | C6 | H6 | 97.2° | 109.2° |
O5 | C5 | H5 | 110.4° | 109.1° |
C5 | O5 | HO5 | 110.8° | 106.8° |
C61 | C6 | N7 | 109.9° | 109.1° |
C61 | C6 | H6 | 110.2° | 109.2° |
C6 | C61 | C62 | 109.0° | 109.5° |
C6 | C61 | H611 | 112.4° | 109.5° |
C6 | C61 | H612 | 112.4° | 109.5° |
N7 | C6 | H6 | 103.4° | 109.3° |
C6 | N7 | C7 | 116.8° | 119.4° |
C70 | C7 | N7 | 115.9° | 109.5° |
C70 | C7 | H71A | 109.9° | 109.5° |
C70 | C7 | H72 | 109.9° | 109.4° |
C7 | C70 | C71 | 118.6° | 119.9° |
C7 | C70 | C75 | 121.4° | 119.9° |
N7 | C7 | H71A | 109.9° | 109.6° |
N7 | C7 | H72 | 109.9° | 109.4° |
H71A | C7 | H72 | 100.3° | 109.4° |
C21 | C20 | C25 | 119.3° | 120.1° |
C20 | C21 | C22 | 120.5° | 119.9° |
C20 | C21 | H21 | 119.3° | 120.1° |
C20 | C25 | C24 | 120.7° | 120.3° |
C20 | C25 | H25 | 119.6° | 119.9° |
C22 | C21 | H21 | 120.2° | 120.1° |
C21 | C22 | C23 | 120.0° | 119.7° |
C21 | C22 | C26 | 119.3° | 120.2° |
C23 | C22 | C26 | 120.7° | 120.1° |
C22 | C23 | C24 | 120.0° | 119.9° |
C22 | C23 | H23 | 120.1° | 120.1° |
C22 | C26 | N26 | 112.7° | 120.0° |
C22 | C26 | O26 | 125.0° | 120.0° |
C24 | C23 | H23 | 119.8° | 120.0° |
C23 | C24 | C25 | 119.4° | 120.1° |
C23 | C24 | H24 | 120.2° | 120.0° |
C25 | C24 | H24 | 120.4° | 119.9° |
C24 | C25 | H25 | 119.6° | 119.8° |
N26 | C26 | O26 | 122.3° | 120.0° |
C26 | N26 | C27 | 123.9° | 120.1° |
C26 | N26 | HN6 | 113.4° | 120.0° |
N26 | C27 | N27 | 125.6° | 128.9° |
N26 | C27 | S29 | 124.6° | 129.0° |
C27 | N26 | HN6 | 122.7° | 119.9° |
N27 | C27 | S29 | 109.8° | 102.1° |
C27 | N27 | C28 | 112.5° | 121.2° |
C27 | S29 | C29 | 96.9° | 97.5° |
C29 | C28 | N27 | 116.0° | 118.4° |
C29 | C28 | H28 | 122.9° | 120.8° |
C28 | C29 | S29 | 104.7° | 100.7° |
C28 | C29 | H29 | 121.1° | 129.6° |
N27 | C28 | H28 | 121.1° | 120.8° |
S29 | C29 | H29 | 134.2° | 129.6° |
C32 | C31 | H311 | 111.4° | 109.5° |
C32 | C31 | H312 | 111.4° | 109.5° |
C31 | C32 | C33 | 120.1° | 120.0° |
C31 | C32 | C37 | 119.2° | 120.0° |
H311 | C31 | H312 | 99.0° | 109.4° |
C33 | C32 | C37 | 120.6° | 120.0° |
C32 | C33 | C34 | 119.0° | 120.0° |
C32 | C33 | H33 | 120.4° | 120.0° |
C32 | C37 | C36 | 120.2° | 120.0° |
C32 | C37 | H37 | 120.1° | 120.0° |
C34 | C33 | H33 | 120.6° | 120.0° |
C33 | C34 | C35 | 120.7° | 120.0° |
C33 | C34 | H34 | 119.7° | 120.0° |
C35 | C34 | H34 | 119.6° | 120.0° |
C34 | C35 | C36 | 120.0° | 120.0° |
C34 | C35 | H35 | 119.7° | 120.0° |
C36 | C35 | H35 | 120.2° | 120.0° |
C35 | C36 | C37 | 119.4° | 120.0° |
C35 | C36 | H36 | 120.6° | 120.0° |
C37 | C36 | H36 | 120.0° | 120.0° |
C36 | C37 | H37 | 119.6° | 120.0° |
C62 | C61 | H611 | 112.4° | 109.5° |
C62 | C61 | H612 | 112.3° | 109.5° |
C61 | C62 | C63 | 118.6° | 120.0° |
C61 | C62 | C67 | 119.9° | 120.0° |
H611 | C61 | H612 | 98.1° | 109.5° |
C63 | C62 | C67 | 121.5° | 120.0° |
C62 | C63 | C64 | 119.7° | 120.1° |
C62 | C63 | H63 | 120.5° | 119.9° |
C62 | C67 | C66 | 118.5° | 120.0° |
C62 | C67 | H67 | 120.9° | 120.0° |
C64 | C63 | H63 | 119.8° | 120.0° |
C63 | C64 | C65 | 119.2° | 120.0° |
C63 | C64 | H64 | 120.1° | 120.0° |
C65 | C64 | H64 | 120.7° | 120.0° |
C64 | C65 | C66 | 120.8° | 120.0° |
C64 | C65 | H65 | 119.7° | 120.0° |
C66 | C65 | H65 | 119.5° | 120.0° |
C65 | C66 | C67 | 120.4° | 120.0° |
C65 | C66 | H66 | 119.8° | 120.0° |
C67 | C66 | H66 | 119.8° | 120.0° |
C66 | C67 | H67 | 120.6° | 120.0° |
C71 | C70 | C75 | 120.0° | 120.2° |
C70 | C71 | C72 | 120.1° | 119.8° |
C70 | C71 | H71 | 119.7° | 120.1° |
C70 | C75 | C74 | 119.7° | 120.3° |
C70 | C75 | H75 | 120.0° | 119.9° |
C72 | C71 | H71 | 120.2° | 120.1° |
C71 | C72 | C73 | 120.2° | 119.7° |
C71 | C72 | C76 | 120.6° | 120.1° |
C73 | C72 | C76 | 119.2° | 120.2° |
C72 | C73 | C74 | 119.6° | 119.9° |
C72 | C73 | H73 | 120.2° | 120.1° |
C72 | C76 | N76 | 114.7° | 120.0° |
C72 | C76 | O76 | 123.3° | 120.0° |
C74 | C73 | H73 | 120.2° | 120.0° |
C73 | C74 | C75 | 120.4° | 120.1° |
C73 | C74 | H74 | 119.5° | 120.0° |
C75 | C74 | H74 | 120.1° | 119.9° |
C74 | C75 | H75 | 120.3° | 119.8° |
N76 | C76 | O76 | 122.0° | 120.0° |
C76 | N76 | C77 | 121.4° | 120.0° |
C76 | N76 | HN7 | 115.2° | 120.0° |
N76 | C77 | N77 | 125.4° | 129.0° |
N76 | C77 | S79 | 124.2° | 128.9° |
C77 | N76 | HN7 | 123.4° | 120.0° |
N77 | C77 | S79 | 110.2° | 102.1° |
C77 | N77 | C78 | 112.8° | 121.2° |
C77 | S79 | C79 | 95.5° | 97.5° |
C79 | C78 | N77 | 115.2° | 118.4° |
C79 | C78 | H78 | 123.4° | 120.8° |
C78 | C79 | S79 | 106.2° | 100.7° |
C78 | C79 | H79 | 119.9° | 129.6° |
N77 | C78 | H78 | 121.4° | 120.8° |
S79 | C79 | H79 | 133.9° | 129.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | N7 | O1 | 178.8° | 179.9° |
C1 | N2 | C2 | C20 | 128.4° | 90.1° |
C1 | N2 | C2 | C3 | 172.1° | 179.9° |
C1 | N2 | C2 | H21A | 3.1° | 149.9° |
C1 | N2 | C2 | H22 | 106.3° | 29.9° |
C1 | N2 | C3 | C4 | 67.5° | 43.4° |
C1 | N2 | C3 | C31 | 68.1° | 76.6° |
C1 | N2 | C3 | H3 | 174.7° | 164.0° |
N2 | C1 | N7 | C6 | 22.1° | 17.7° |
N2 | C1 | N7 | C7 | 166.9° | 162.4° |
N7 | C1 | N2 | C2 | 156.0° | 172.4° |
N7 | C1 | N2 | C3 | 32.4° | 7.5° |
C1 | N7 | C6 | C5 | 65.7° | 78.9° |
C1 | N7 | C6 | C61 | 70.2° | 160.9° |
C1 | N7 | C6 | C7 | 171.0° | 179.9° |
C1 | N7 | C6 | H6 | 172.2° | 41.5° |
C1 | N7 | C7 | C70 | 123.0° | 84.1° |
C1 | N7 | C7 | H71A | 2.3° | 35.9° |
C1 | N7 | C7 | H72 | 111.7° | 155.9° |
O1 | C1 | N2 | C2 | 22.8° | 7.7° |
O1 | C1 | N2 | C3 | 148.8° | 172.4° |
O1 | C1 | N7 | C6 | 156.6° | 162.4° |
O1 | C1 | N7 | C7 | 14.4° | 17.5° |
C20 | C2 | N2 | H21A | 125.3° | 120.0° |
C20 | C2 | N2 | H22 | 125.3° | 120.0° |
C20 | C2 | H21A | H22 | 115.0° | 119.9° |
C20 | C2 | N2 | C3 | 59.5° | 90.0° |
C2 | C20 | C21 | C25 | 179.0° | 179.7° |
C2 | C20 | C21 | C22 | 179.2° | 179.7° |
C2 | C20 | C21 | H21 | 0.8° | 0.3° |
C2 | C20 | C25 | C24 | 179.0° | 180.0° |
C2 | C20 | C25 | H25 | 1.0° | 0.0° |
N2 | C2 | H21A | H22 | 114.9° | 120.1° |
C2 | N2 | C3 | C4 | 121.0° | 136.7° |
C2 | N2 | C3 | C31 | 103.4° | 103.4° |
C2 | N2 | C3 | H3 | 13.8° | 16.1° |
N2 | C2 | C20 | C21 | 139.1° | 90.3° |
N2 | C2 | C20 | C25 | 42.0° | 90.0° |
H21A | C2 | N2 | C3 | 175.3° | 30.0° |
H21A | C2 | C20 | C21 | 95.7° | 149.7° |
H21A | C2 | C20 | C25 | 83.3° | 30.0° |
H22 | C2 | N2 | C3 | 65.8° | 150.1° |
H22 | C2 | C20 | C21 | 13.8° | 29.7° |
H22 | C2 | C20 | C25 | 167.2° | 150.0° |
C4 | C3 | C31 | N2 | 136.8° | 121.2° |
C4 | C3 | C31 | H3 | 108.1° | 119.4° |
C4 | C3 | N2 | H3 | 107.2° | 120.6° |
C3 | C4 | C5 | O4 | 119.7° | 120.6° |
C3 | C4 | C5 | H4 | 118.2° | 120.6° |
C3 | C4 | O4 | H4 | 118.4° | 118.7° |
C3 | C4 | C5 | C6 | 64.5° | 31.0° |
C3 | C4 | C5 | O5 | 177.9° | 151.4° |
C3 | C4 | C5 | H5 | 57.0° | 89.6° |
C4 | C3 | C31 | C32 | 159.1° | 120.5° |
C4 | C3 | C31 | H311 | 33.8° | 0.5° |
C4 | C3 | C31 | H312 | 75.6° | 119.5° |
C3 | C4 | O4 | HO4 | 180.0° | 178.7° |
C31 | C3 | N2 | H3 | 117.3° | 119.4° |
C31 | C3 | C4 | C5 | 62.9° | 34.9° |
C31 | C3 | C4 | O4 | 57.2° | 85.8° |
C31 | C3 | C4 | H4 | 179.2° | 155.6° |
C3 | C31 | C32 | H311 | 125.3° | 120.0° |
C3 | C31 | C32 | H312 | 125.2° | 120.0° |
C3 | C31 | H311 | H312 | 117.2° | 119.9° |
C3 | C31 | C32 | C33 | 103.1° | 90.0° |
C3 | C31 | C32 | C37 | 72.5° | 90.3° |
N2 | C3 | C4 | C5 | 69.7° | 85.3° |
N2 | C3 | C4 | O4 | 170.2° | 154.0° |
N2 | C3 | C4 | H4 | 48.1° | 35.3° |
N2 | C3 | C31 | C32 | 64.0° | 118.3° |
N2 | C3 | C31 | H311 | 170.7° | 121.6° |
N2 | C3 | C31 | H312 | 61.2° | 1.7° |
H3 | C3 | C4 | C5 | 178.2° | 154.2° |
H3 | C3 | C4 | O4 | 58.1° | 33.5° |
H3 | C3 | C4 | H4 | 64.0° | 85.2° |
H3 | C3 | C31 | C32 | 51.0° | 1.1° |
H3 | C3 | C31 | H311 | 74.3° | 118.9° |
H3 | C3 | C31 | H312 | 176.3° | 121.1° |
C5 | C4 | O4 | H4 | 118.0° | 118.8° |
C4 | C5 | C6 | O5 | 120.1° | 120.4° |
C4 | C5 | C6 | H5 | 119.2° | 120.6° |
C4 | C5 | O5 | H5 | 119.2° | 119.1° |
C4 | C5 | C6 | C61 | 63.6° | 173.7° |
C4 | C5 | C6 | N7 | 70.3° | 53.6° |
C4 | C5 | C6 | H6 | 179.8° | 66.9° |
C5 | C4 | O4 | HO4 | 56.4° | 58.8° |
C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
O4 | C4 | C5 | C6 | 175.8° | 151.6° |
O4 | C4 | C5 | O5 | 58.2° | 88.0° |
O4 | C4 | C5 | H5 | 62.7° | 31.1° |
H4 | C4 | C5 | C6 | 53.7° | 89.7° |
H4 | C4 | C5 | O5 | 63.9° | 30.8° |
H4 | C4 | C5 | H5 | 175.3° | 149.8° |
H4 | C4 | O4 | HO4 | 61.6° | 60.1° |
C6 | C5 | O5 | H5 | 121.5° | 119.0° |
C5 | C6 | C61 | N7 | 138.3° | 121.3° |
C5 | C6 | C61 | H6 | 108.3° | 119.4° |
C5 | C6 | N7 | H6 | 106.5° | 120.4° |
C5 | C6 | N7 | C7 | 123.3° | 101.2° |
C5 | C6 | C61 | C62 | 150.6° | 65.5° |
C5 | C6 | C61 | H611 | 25.3° | 54.5° |
C5 | C6 | C61 | H612 | 84.3° | 174.5° |
C6 | C5 | O5 | HO5 | 60.7° | 178.1° |
O5 | C5 | C6 | C61 | 56.4° | 53.3° |
O5 | C5 | C6 | N7 | 169.7° | 66.9° |
O5 | C5 | C6 | H6 | 59.7° | 172.7° |
H5 | C5 | C6 | C61 | 177.2° | 65.7° |
H5 | C5 | C6 | N7 | 48.9° | 174.1° |
H5 | C5 | C6 | H6 | 61.1° | 53.7° |
H5 | C5 | O5 | HO5 | 60.8° | 59.0° |
C61 | C6 | N7 | H6 | 117.6° | 119.3° |
C61 | C6 | N7 | C7 | 100.8° | 19.0° |
C6 | C61 | C62 | H611 | 125.3° | 120.0° |
C6 | C61 | C62 | H612 | 125.2° | 120.0° |
C6 | C61 | H611 | H612 | 118.3° | 120.0° |
C6 | C61 | C62 | C63 | 71.8° | 95.3° |
C6 | C61 | C62 | C67 | 105.7° | 85.0° |
C6 | N7 | C7 | C70 | 65.2° | 95.9° |
C6 | N7 | C7 | H71A | 169.5° | 144.0° |
C6 | N7 | C7 | H72 | 60.1° | 24.0° |
N7 | C6 | C61 | C62 | 71.2° | 173.2° |
N7 | C6 | C61 | H611 | 163.6° | 66.7° |
N7 | C6 | C61 | H612 | 54.0° | 53.2° |
H6 | C6 | N7 | C7 | 16.8° | 138.4° |
H6 | C6 | C61 | C62 | 42.2° | 53.9° |
H6 | C6 | C61 | H611 | 83.1° | 173.9° |
H6 | C6 | C61 | H612 | 167.4° | 66.1° |
C70 | C7 | N7 | H71A | 125.3° | 120.0° |
C70 | C7 | N7 | H72 | 125.3° | 119.9° |
C70 | C7 | H71A | H72 | 115.6° | 119.9° |
C7 | C70 | C71 | C75 | 179.3° | 179.7° |
C7 | C70 | C71 | C72 | 178.6° | 179.7° |
C7 | C70 | C71 | H71 | 1.5° | 0.3° |
C7 | C70 | C75 | C74 | 179.1° | 180.0° |
C7 | C70 | C75 | H75 | 0.9° | 0.0° |
N7 | C7 | H71A | H72 | 115.7° | 120.0° |
N7 | C7 | C70 | C71 | 142.4° | 96.9° |
N7 | C7 | C70 | C75 | 36.8° | 83.4° |
H71A | C7 | C70 | C71 | 92.3° | 143.0° |
H71A | C7 | C70 | C75 | 88.5° | 36.7° |
H72 | C7 | C70 | C71 | 17.1° | 23.1° |
H72 | C7 | C70 | C75 | 162.2° | 156.7° |
C20 | C21 | C22 | H21 | 180.0° | 179.4° |
C20 | C21 | C22 | C23 | 0.0° | 0.6° |
C20 | C21 | C22 | C26 | 179.0° | 179.7° |
C21 | C20 | C25 | C24 | 0.0° | 0.3° |
C21 | C20 | C25 | H25 | 180.0° | 179.7° |
C25 | C20 | C21 | C22 | 0.2° | 0.6° |
C25 | C20 | C21 | H21 | 179.8° | 180.0° |
C20 | C25 | C24 | C23 | 0.3° | 0.0° |
C20 | C25 | C24 | H25 | 180.0° | 180.0° |
C20 | C25 | C24 | H24 | 179.7° | 179.9° |
C21 | C22 | C23 | C26 | 179.0° | 179.7° |
C21 | C22 | C23 | C24 | 0.3° | 0.3° |
C21 | C22 | C23 | H23 | 179.8° | 179.8° |
C21 | C22 | C26 | N26 | 23.0° | 179.8° |
C21 | C22 | C26 | O26 | 157.8° | 0.3° |
H21 | C21 | C22 | C23 | 180.0° | 180.0° |
H21 | C21 | C22 | C26 | 1.0° | 0.3° |
C22 | C23 | C24 | H23 | 180.0° | 179.9° |
C22 | C23 | C24 | C25 | 0.4° | 0.0° |
C22 | C23 | C24 | H24 | 179.6° | 179.9° |
C23 | C22 | C26 | N26 | 156.0° | 0.1° |
C23 | C22 | C26 | O26 | 23.2° | 180.0° |
C26 | C22 | C23 | C24 | 178.7° | 180.0° |
C26 | C22 | C23 | H23 | 1.2° | 0.1° |
C22 | C26 | N26 | O26 | 179.2° | 179.9° |
C22 | C26 | N26 | C27 | 176.8° | 180.0° |
C22 | C26 | N26 | HN6 | 3.1° | 0.0° |
C23 | C24 | C25 | H24 | 180.0° | 179.9° |
C23 | C24 | C25 | H25 | 179.7° | 179.9° |
H23 | C23 | C24 | C25 | 179.6° | 179.9° |
H23 | C23 | C24 | H24 | 0.4° | 0.0° |
H24 | C24 | C25 | H25 | 0.3° | 0.1° |
C26 | N26 | C27 | HN6 | 179.9° | 180.0° |
C26 | N26 | C27 | N27 | 164.2° | 0.3° |
C26 | N26 | C27 | S29 | 12.8° | 179.9° |
O26 | C26 | N26 | C27 | 2.4° | 0.0° |
O26 | C26 | N26 | HN6 | 177.6° | 180.0° |
N26 | C27 | N27 | S29 | 177.4° | 179.7° |
N26 | C27 | N27 | C28 | 177.2° | 179.8° |
N26 | C27 | S29 | C29 | 177.4° | 180.0° |
C27 | N27 | C28 | C29 | 0.2° | 0.5° |
C27 | N27 | C28 | H28 | 179.7° | 179.7° |
N27 | C27 | S29 | C29 | 0.1° | 0.3° |
N27 | C27 | N26 | HN6 | 15.8° | 179.7° |
C27 | S29 | C29 | C28 | 0.1° | 0.0° |
S29 | C27 | N27 | C28 | 0.2° | 0.5° |
C27 | S29 | C29 | H29 | 180.0° | 180.0° |
S29 | C27 | N26 | HN6 | 167.2° | 0.1° |
C29 | C28 | N27 | H28 | 180.0° | 179.8° |
C28 | C29 | S29 | H29 | 180.0° | 180.0° |
N27 | C28 | C29 | S29 | 0.2° | 0.2° |
N27 | C28 | C29 | H29 | 179.8° | 179.8° |
H28 | C28 | C29 | S29 | 179.8° | 180.0° |
H28 | C28 | C29 | H29 | 0.2° | 0.0° |
C32 | C31 | H311 | H312 | 117.3° | 120.0° |
C31 | C32 | C33 | C37 | 175.5° | 179.7° |
C31 | C32 | C33 | C34 | 174.4° | 180.0° |
C31 | C32 | C33 | H33 | 5.6° | 0.0° |
C31 | C32 | C37 | C36 | 174.7° | 179.8° |
C31 | C32 | C37 | H37 | 5.4° | 0.2° |
H311 | C31 | C32 | C33 | 131.6° | 30.0° |
H311 | C31 | C32 | C37 | 52.8° | 149.7° |
H312 | C31 | C32 | C33 | 22.2° | 150.0° |
H312 | C31 | C32 | C37 | 162.3° | 29.7° |
C32 | C33 | C34 | H33 | 180.0° | 180.0° |
C32 | C33 | C34 | C35 | 0.5° | 0.0° |
C32 | C33 | C34 | H34 | 179.5° | 179.9° |
C33 | C32 | C37 | C36 | 0.8° | 0.5° |
C33 | C32 | C37 | H37 | 179.1° | 179.9° |
C37 | C32 | C33 | C34 | 1.1° | 0.2° |
C37 | C32 | C33 | H33 | 178.9° | 179.7° |
C32 | C37 | C36 | C35 | 0.1° | 0.5° |
C32 | C37 | C36 | H37 | 180.0° | 179.6° |
C32 | C37 | C36 | H36 | 179.9° | 179.7° |
C33 | C34 | C35 | H34 | 180.0° | 180.0° |
C33 | C34 | C35 | C36 | 0.3° | 0.0° |
C33 | C34 | C35 | H35 | 179.7° | 179.9° |
H33 | C33 | C34 | C35 | 179.5° | 180.0° |
H33 | C33 | C34 | H34 | 0.5° | 0.1° |
C34 | C35 | C36 | H35 | 180.0° | 179.9° |
C34 | C35 | C36 | C37 | 0.5° | 0.2° |
C34 | C35 | C36 | H36 | 179.5° | 180.0° |
H34 | C34 | C35 | C36 | 179.7° | 180.0° |
H34 | C34 | C35 | H35 | 0.3° | 0.1° |
C35 | C36 | C37 | H36 | 180.0° | 179.8° |
C35 | C36 | C37 | H37 | 179.9° | 180.0° |
H35 | C35 | C36 | C37 | 179.5° | 179.9° |
H35 | C35 | C36 | H36 | 0.5° | 0.1° |
H36 | C36 | C37 | H37 | 0.1° | 0.2° |
C62 | C61 | H611 | H612 | 118.3° | 120.0° |
C61 | C62 | C63 | C67 | 177.5° | 179.7° |
C61 | C62 | C63 | C64 | 177.3° | 180.0° |
C61 | C62 | C63 | H63 | 2.7° | 0.1° |
C61 | C62 | C67 | C66 | 177.6° | 179.8° |
C61 | C62 | C67 | H67 | 2.4° | 0.3° |
H611 | C61 | C62 | C63 | 53.4° | 24.7° |
H611 | C61 | C62 | C67 | 129.1° | 154.9° |
H612 | C61 | C62 | C63 | 162.9° | 144.7° |
H612 | C61 | C62 | C67 | 19.6° | 34.9° |
C62 | C63 | C64 | H63 | 180.0° | 179.9° |
C62 | C63 | C64 | C65 | 0.3° | 0.0° |
C62 | C63 | C64 | H64 | 179.7° | 180.0° |
C63 | C62 | C67 | C66 | 0.2° | 0.5° |
C63 | C62 | C67 | H67 | 179.8° | 179.9° |
C67 | C62 | C63 | C64 | 0.2° | 0.3° |
C67 | C62 | C63 | H63 | 179.8° | 179.7° |
C62 | C67 | C66 | C65 | 0.4° | 0.4° |
C62 | C67 | C66 | H67 | 180.0° | 179.5° |
C62 | C67 | C66 | H66 | 179.7° | 179.7° |
C63 | C64 | C65 | H64 | 180.0° | 180.0° |
C63 | C64 | C65 | C66 | 0.1° | 0.1° |
C63 | C64 | C65 | H65 | 180.0° | 180.0° |
H63 | C63 | C64 | C65 | 179.7° | 180.0° |
H63 | C63 | C64 | H64 | 0.3° | 0.0° |
C64 | C65 | C66 | H65 | 180.0° | 180.0° |
C64 | C65 | C66 | C67 | 0.3° | 0.1° |
C64 | C65 | C66 | H66 | 179.8° | 180.0° |
H64 | C64 | C65 | C66 | 179.9° | 179.9° |
H64 | C64 | C65 | H65 | 0.1° | 0.0° |
C65 | C66 | C67 | H66 | 180.0° | 179.9° |
C65 | C66 | C67 | H67 | 179.6° | 180.0° |
H65 | C65 | C66 | C67 | 179.7° | 179.8° |
H65 | C65 | C66 | H66 | 0.3° | 0.1° |
H66 | C66 | C67 | H67 | 0.4° | 0.2° |
C70 | C71 | C72 | H71 | 179.9° | 179.5° |
C70 | C71 | C72 | C73 | 0.8° | 0.5° |
C70 | C71 | C72 | C76 | 177.7° | 179.7° |
C71 | C70 | C75 | C74 | 0.2° | 0.2° |
C71 | C70 | C75 | H75 | 179.8° | 179.7° |
C75 | C70 | C71 | C72 | 0.7° | 0.5° |
C75 | C70 | C71 | H71 | 179.2° | 180.0° |
C70 | C75 | C74 | C73 | 0.3° | 0.1° |
C70 | C75 | C74 | H75 | 179.9° | 180.0° |
C70 | C75 | C74 | H74 | 179.6° | 180.0° |
C71 | C72 | C73 | C76 | 178.5° | 179.8° |
C71 | C72 | C73 | C74 | 0.3° | 0.2° |
C71 | C72 | C73 | H73 | 179.7° | 179.7° |
C71 | C72 | C76 | N76 | 22.8° | 179.8° |
C71 | C72 | C76 | O76 | 159.0° | 0.3° |
H71 | C71 | C72 | C73 | 179.1° | 180.0° |
H71 | C71 | C72 | C76 | 2.4° | 0.2° |
C72 | C73 | C74 | H73 | 180.0° | 180.0° |
C72 | C73 | C74 | C75 | 0.3° | 0.1° |
C72 | C73 | C74 | H74 | 179.7° | 180.0° |
C73 | C72 | C76 | N76 | 158.8° | 0.0° |
C73 | C72 | C76 | O76 | 19.5° | 179.9° |
C76 | C72 | C73 | C74 | 178.2° | 180.0° |
C76 | C72 | C73 | H73 | 1.9° | 0.0° |
C72 | C76 | N76 | O76 | 178.3° | 179.9° |
C72 | C76 | N76 | C77 | 178.2° | 180.0° |
C72 | C76 | N76 | HN7 | 1.8° | 0.0° |
C73 | C74 | C75 | H74 | 179.9° | 179.9° |
C73 | C74 | C75 | H75 | 179.7° | 180.0° |
H73 | C73 | C74 | C75 | 179.8° | 180.0° |
H73 | C73 | C74 | H74 | 0.3° | 0.0° |
H74 | C74 | C75 | H75 | 0.3° | 0.0° |
C76 | N76 | C77 | HN7 | 180.0° | 180.0° |
C76 | N76 | C77 | N77 | 157.1° | 0.3° |
C76 | N76 | C77 | S79 | 18.1° | 180.0° |
O76 | C76 | N76 | C77 | 0.1° | 0.1° |
O76 | C76 | N76 | HN7 | 179.9° | 180.0° |
N76 | C77 | N77 | S79 | 175.8° | 179.8° |
N76 | C77 | N77 | C78 | 175.3° | 179.7° |
N76 | C77 | S79 | C79 | 175.2° | 180.0° |
C77 | N77 | C78 | C79 | 0.0° | 0.6° |
C77 | N77 | C78 | H78 | 180.0° | 179.8° |
N77 | C77 | S79 | C79 | 0.6° | 0.2° |
N77 | C77 | N76 | HN7 | 22.8° | 179.7° |
C77 | S79 | C79 | C78 | 0.6° | 0.0° |
S79 | C77 | N77 | C78 | 0.5° | 0.5° |
C77 | S79 | C79 | H79 | 179.4° | 180.0° |
S79 | C77 | N76 | HN7 | 162.0° | 0.0° |
C79 | C78 | N77 | H78 | 180.0° | 179.7° |
C78 | C79 | S79 | H79 | 180.0° | 180.0° |
N77 | C78 | C79 | S79 | 0.4° | 0.3° |
N77 | C78 | C79 | H79 | 179.5° | 179.7° |
H78 | C78 | C79 | S79 | 179.6° | 180.0° |
H78 | C78 | C79 | H79 | 0.4° | 0.1° |