146
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | sing | 1.32Å | 1.36Å | |
C1 | N7 | sing | 1.34Å | 1.35Å | |
C1 | O1 | doub | 1.22Å | 1.22Å | |
C2 | C20 | sing | 1.51Å | 1.52Å | |
C2 | N2 | sing | 1.47Å | 1.47Å | |
C2 | H21A | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | C31 | sing | 1.53Å | 1.56Å | |
C3 | N2 | sing | 1.46Å | 1.47Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.52Å | 1.51Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.52Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.40Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | C61 | sing | 1.53Å | 1.55Å | |
C6 | N7 | sing | 1.46Å | 1.48Å | |
C6 | H6 | sing | 1.09Å | 1.12Å | |
C7 | C70 | sing | 1.51Å | 1.51Å | |
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 | 1.41Å | Aromatic |
C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
C21 | H21 | sing | 1.08Å | 1.10Å | |
C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
C22 | C26 | sing | 1.48Å | 1.49Å | |
C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
C23 | H23 | sing | 1.08Å | 1.10Å | |
C24 | C25 | doub | 1.38Å | 1.41Å | 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 | 1.21Å | 1.22Å | |
C27 | N26 | sing | 1.38Å | 1.47Å | |
C27 | N3 | sing | 1.36Å | 1.35Å | Aromatic |
C27 | N27 | doub | 1.31Å | 1.35Å | Aromatic |
C9 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
C9 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.10Å | |
C11 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.10Å | |
C14 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.10Å | |
C28 | C29 | sing | 1.40Å | 1.49Å | Aromatic |
C28 | N27 | sing | 1.36Å | 1.37Å | Aromatic |
C29 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
C31 | C32 | sing | 1.51Å | 1.52Å | |
C31 | H311 | sing | 1.09Å | 1.12Å | |
C31 | H312 | sing | 1.09Å | 1.12Å | |
C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
C32 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
C33 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
C33 | H33 | sing | 1.08Å | 1.10Å | |
C34 | C35 | doub | 1.38Å | 1.42Å | 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 | 1.42Å | Aromatic |
C36 | H36 | sing | 1.08Å | 1.10Å | |
C37 | H37 | sing | 1.08Å | 1.10Å | |
C61 | C62 | sing | 1.51Å | 1.51Å | |
C61 | H611 | sing | 1.09Å | 1.11Å | |
C61 | H612 | sing | 1.09Å | 1.11Å | |
C62 | C63 | doub | 1.38Å | 1.42Å | Aromatic |
C62 | C67 | sing | 1.38Å | 1.42Å | Aromatic |
C63 | C64 | sing | 1.38Å | 1.41Å | 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 | 1.40Å | Aromatic |
C70 | C75 | sing | 1.38Å | 1.42Å | Aromatic |
C71 | C72 | sing | 1.40Å | 1.41Å | Aromatic |
C71 | H71 | sing | 1.08Å | 1.10Å | |
C72 | C73 | doub | 1.39Å | 1.41Å | Aromatic |
C72 | C76 | sing | 1.48Å | 1.50Å | |
C73 | C74 | sing | 1.38Å | 1.41Å | Aromatic |
C73 | H73 | sing | 1.08Å | 1.10Å | |
C74 | C75 | doub | 1.38Å | 1.41Å | 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 | 1.38Å | 1.48Å | |
C77 | N1 | doub | 1.31Å | 1.36Å | Aromatic |
C77 | N77 | sing | 1.36Å | 1.34Å | Aromatic |
C15 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
C15 | C79 | sing | 1.40Å | 1.41Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.10Å | |
C8 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C10 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C12 | C78 | sing | 1.39Å | 1.42Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C78 | C79 | doub | 1.40Å | 1.49Å | Aromatic |
C78 | N77 | sing | 1.38Å | 1.38Å | Aromatic |
C79 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
N26 | HN6 | sing | 0.97Å | 1.02Å | |
N3 | HN3 | sing | 0.97Å | 1.02Å | |
N76 | HN7 | sing | 0.97Å | 1.02Å | |
N77 | HN77 | 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 | 122.4° | 126.2° |
N2 | C1 | O1 | 119.1° | 116.9° |
C1 | N2 | C2 | 118.8° | 117.8° |
C1 | N2 | C3 | 124.2° | 124.3° |
N7 | C1 | O1 | 118.4° | 116.9° |
C1 | N7 | C6 | 124.8° | 121.2° |
C1 | N7 | C7 | 117.9° | 119.4° |
C20 | C2 | N2 | 116.5° | 109.5° |
C20 | C2 | H21A | 109.7° | 109.5° |
C20 | C2 | H22 | 109.7° | 109.4° |
C2 | C20 | C21 | 118.8° | 120.0° |
C2 | C20 | C25 | 121.3° | 119.9° |
N2 | C2 | H21A | 109.7° | 109.5° |
N2 | C2 | H22 | 109.6° | 109.5° |
C2 | N2 | C3 | 115.9° | 117.9° |
H21A | C2 | H22 | 100.5° | 109.5° |
C4 | C3 | C31 | 115.5° | 108.9° |
C4 | C3 | N2 | 117.5° | 110.9° |
C4 | C3 | H3 | 98.3° | 109.4° |
C3 | C4 | C5 | 109.4° | 112.0° |
C3 | C4 | O4 | 106.4° | 109.0° |
C3 | C4 | H4 | 111.9° | 108.9° |
C31 | C3 | N2 | 109.2° | 109.2° |
C31 | C3 | H3 | 108.8° | 109.2° |
C3 | C31 | C32 | 114.2° | 109.5° |
C3 | C31 | H311 | 110.5° | 109.5° |
C3 | C31 | H312 | 110.4° | 109.5° |
N2 | C3 | H3 | 106.2° | 109.2° |
C5 | C4 | O4 | 110.6° | 109.0° |
C5 | C4 | H4 | 107.8° | 108.9° |
C4 | C5 | C6 | 109.7° | 111.5° |
C4 | C5 | O5 | 110.7° | 109.1° |
C4 | C5 | H5 | 107.6° | 109.0° |
O4 | C4 | H4 | 110.8° | 109.0° |
C4 | O4 | HO4 | 106.4° | 106.8° |
C6 | C5 | O5 | 106.3° | 109.0° |
C6 | C5 | H5 | 111.8° | 109.1° |
C5 | C6 | C61 | 114.6° | 109.2° |
C5 | C6 | N7 | 117.6° | 110.8° |
C5 | C6 | H6 | 99.2° | 109.2° |
O5 | C5 | H5 | 110.9° | 109.0° |
C5 | O5 | HO5 | 110.7° | 106.8° |
C61 | C6 | N7 | 109.6° | 109.1° |
C61 | C6 | H6 | 109.2° | 109.2° |
C6 | C61 | C62 | 114.3° | 109.5° |
C6 | C61 | H611 | 110.4° | 109.5° |
C6 | C61 | H612 | 110.5° | 109.5° |
N7 | C6 | H6 | 105.4° | 109.2° |
C6 | N7 | C7 | 116.3° | 119.4° |
C70 | C7 | N7 | 115.8° | 109.5° |
C70 | C7 | H71A | 109.9° | 109.5° |
C70 | C7 | H72 | 109.9° | 109.5° |
C7 | C70 | C71 | 117.5° | 119.9° |
C7 | C70 | C75 | 122.2° | 120.0° |
N7 | C7 | H71A | 110.0° | 109.5° |
N7 | C7 | H72 | 109.9° | 109.5° |
H71A | C7 | H72 | 100.2° | 109.4° |
C21 | C20 | C25 | 119.8° | 120.1° |
C20 | C21 | C22 | 119.8° | 119.9° |
C20 | C21 | H21 | 119.9° | 120.1° |
C20 | C25 | C24 | 120.4° | 120.3° |
C20 | C25 | H25 | 119.9° | 119.8° |
C22 | C21 | H21 | 120.3° | 120.1° |
C21 | C22 | C23 | 120.2° | 119.7° |
C21 | C22 | C26 | 120.8° | 120.1° |
C23 | C22 | C26 | 118.9° | 120.1° |
C22 | C23 | C24 | 120.4° | 119.8° |
C22 | C23 | H23 | 119.7° | 120.1° |
C22 | C26 | N26 | 113.6° | 120.0° |
C22 | C26 | O26 | 123.5° | 120.0° |
C24 | C23 | H23 | 119.9° | 120.1° |
C23 | C24 | C25 | 119.3° | 120.2° |
C23 | C24 | H24 | 120.4° | 119.9° |
C25 | C24 | H24 | 120.4° | 119.9° |
C24 | C25 | H25 | 119.6° | 119.9° |
N26 | C26 | O26 | 122.8° | 120.0° |
C26 | N26 | C27 | 125.1° | 120.0° |
C26 | N26 | HN6 | 112.6° | 120.0° |
N26 | C27 | N3 | 124.3° | 125.1° |
N26 | C27 | N27 | 122.2° | 125.0° |
C27 | N26 | HN6 | 122.3° | 120.0° |
N3 | C27 | N27 | 113.3° | 109.9° |
C27 | N3 | C29 | 107.3° | 107.3° |
C27 | N3 | HN3 | 125.8° | 126.4° |
C27 | N27 | C28 | 107.1° | 109.6° |
C11 | C9 | C29 | 118.9° | 119.8° |
C11 | C9 | H9 | 120.6° | 120.1° |
C9 | C11 | C13 | 121.6° | 120.4° |
C9 | C11 | H11 | 119.0° | 119.8° |
C29 | C9 | H9 | 120.6° | 120.1° |
C9 | C29 | C28 | 119.5° | 120.0° |
C9 | C29 | N3 | 134.4° | 133.9° |
C13 | C11 | H11 | 119.3° | 119.8° |
C11 | C13 | C14 | 121.2° | 120.5° |
C11 | C13 | H13 | 119.7° | 119.8° |
C14 | C13 | H13 | 119.1° | 119.7° |
C13 | C14 | C28 | 119.2° | 119.8° |
C13 | C14 | H14 | 120.4° | 120.1° |
C28 | C14 | H14 | 120.5° | 120.1° |
C14 | C28 | C29 | 119.6° | 119.5° |
C14 | C28 | N27 | 134.2° | 133.4° |
C29 | C28 | N27 | 106.1° | 107.1° |
C28 | C29 | N3 | 106.1° | 106.1° |
C29 | N3 | HN3 | 127.0° | 126.3° |
C32 | C31 | H311 | 110.5° | 109.4° |
C32 | C31 | H312 | 110.5° | 109.4° |
C31 | C32 | C33 | 120.7° | 120.0° |
C31 | C32 | C37 | 119.4° | 120.0° |
H311 | C31 | H312 | 99.8° | 109.5° |
C33 | C32 | C37 | 119.9° | 120.0° |
C32 | C33 | C34 | 119.8° | 120.0° |
C32 | C33 | H33 | 120.1° | 119.9° |
C32 | C37 | C36 | 120.3° | 120.0° |
C32 | C37 | H37 | 119.8° | 120.0° |
C34 | C33 | H33 | 120.1° | 120.0° |
C33 | C34 | C35 | 120.3° | 120.0° |
C33 | C34 | H34 | 119.8° | 120.0° |
C35 | C34 | H34 | 119.9° | 120.0° |
C34 | C35 | C36 | 120.0° | 120.0° |
C34 | C35 | H35 | 120.1° | 120.0° |
C36 | C35 | H35 | 120.0° | 120.0° |
C35 | C36 | C37 | 119.8° | 120.0° |
C35 | C36 | H36 | 120.0° | 120.0° |
C37 | C36 | H36 | 120.2° | 120.0° |
C36 | C37 | H37 | 119.8° | 120.0° |
C62 | C61 | H611 | 110.4° | 109.4° |
C62 | C61 | H612 | 110.4° | 109.5° |
C61 | C62 | C63 | 119.3° | 120.0° |
C61 | C62 | C67 | 119.7° | 120.0° |
H611 | C61 | H612 | 99.9° | 109.5° |
C63 | C62 | C67 | 120.9° | 120.0° |
C62 | C63 | C64 | 119.4° | 120.1° |
C62 | C63 | H63 | 120.7° | 120.0° |
C62 | C67 | C66 | 119.1° | 120.0° |
C62 | C67 | H67 | 121.0° | 119.9° |
C64 | C63 | H63 | 119.8° | 120.0° |
C63 | C64 | C65 | 119.4° | 119.9° |
C63 | C64 | H64 | 120.2° | 120.0° |
C65 | C64 | H64 | 120.3° | 120.0° |
C64 | C65 | C66 | 121.0° | 120.0° |
C64 | C65 | H65 | 119.6° | 120.0° |
C66 | C65 | H65 | 119.4° | 120.0° |
C65 | C66 | C67 | 120.1° | 120.0° |
C65 | C66 | H66 | 120.1° | 120.0° |
C67 | C66 | H66 | 119.8° | 119.9° |
C66 | C67 | H67 | 119.9° | 120.1° |
C71 | C70 | C75 | 120.2° | 120.1° |
C70 | C71 | C72 | 119.4° | 119.8° |
C70 | C71 | H71 | 120.0° | 120.1° |
C70 | C75 | C74 | 120.4° | 120.3° |
C70 | C75 | H75 | 120.2° | 119.8° |
C72 | C71 | H71 | 120.7° | 120.1° |
C71 | C72 | C73 | 120.5° | 119.8° |
C71 | C72 | C76 | 120.2° | 120.1° |
C73 | C72 | C76 | 119.3° | 120.1° |
C72 | C73 | C74 | 120.1° | 119.8° |
C72 | C73 | H73 | 120.0° | 120.2° |
C72 | C76 | N76 | 115.0° | 120.0° |
C72 | C76 | O76 | 122.5° | 120.1° |
C74 | C73 | H73 | 119.9° | 120.1° |
C73 | C74 | C75 | 119.4° | 120.2° |
C73 | C74 | H74 | 120.4° | 119.9° |
C75 | C74 | H74 | 120.2° | 119.9° |
C74 | C75 | H75 | 119.4° | 119.9° |
N76 | C76 | O76 | 122.5° | 119.9° |
C76 | N76 | C77 | 123.5° | 120.0° |
C76 | N76 | HN7 | 113.5° | 120.0° |
N76 | C77 | N1 | 124.3° | 125.0° |
N76 | C77 | N77 | 121.5° | 125.1° |
C77 | N76 | HN7 | 123.1° | 120.0° |
N1 | C77 | N77 | 112.9° | 109.9° |
C77 | N1 | C79 | 108.0° | 109.6° |
C77 | N77 | C78 | 107.3° | 107.2° |
C77 | N77 | HN77 | 125.2° | 126.4° |
C8 | C15 | C79 | 119.4° | 119.8° |
C8 | C15 | H15 | 120.5° | 120.1° |
C15 | C8 | C10 | 121.3° | 120.5° |
C15 | C8 | H8 | 119.3° | 119.7° |
C79 | C15 | H15 | 120.1° | 120.1° |
C15 | C79 | C78 | 119.6° | 119.5° |
C15 | C79 | N1 | 134.7° | 133.4° |
C10 | C8 | H8 | 119.4° | 119.8° |
C8 | C10 | C12 | 121.1° | 120.5° |
C8 | C10 | H10 | 119.5° | 119.8° |
C12 | C10 | H10 | 119.4° | 119.8° |
C10 | C12 | C78 | 119.2° | 119.8° |
C10 | C12 | H12 | 120.2° | 120.1° |
C78 | C12 | H12 | 120.7° | 120.1° |
C12 | C78 | C79 | 119.3° | 120.0° |
C12 | C78 | N77 | 134.5° | 133.9° |
C79 | C78 | N77 | 106.1° | 106.2° |
C78 | C79 | N1 | 105.7° | 107.1° |
C78 | N77 | HN77 | 127.5° | 126.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | N7 | O1 | 179.9° | 180.0° |
C1 | N2 | C2 | C20 | 132.8° | 90.0° |
C1 | N2 | C2 | C3 | 168.3° | 179.9° |
C1 | N2 | C2 | H21A | 7.5° | 150.0° |
C1 | N2 | C2 | H22 | 101.9° | 30.0° |
C1 | N2 | C3 | C4 | 68.8° | 43.3° |
C1 | N2 | C3 | C31 | 65.3° | 76.7° |
C1 | N2 | C3 | H3 | 177.5° | 163.9° |
N2 | C1 | N7 | C6 | 25.4° | 17.6° |
N2 | C1 | N7 | C7 | 166.6° | 162.4° |
N7 | C1 | N2 | C2 | 163.6° | 172.5° |
N7 | C1 | N2 | C3 | 29.1° | 7.7° |
C1 | N7 | C6 | C5 | 67.0° | 78.8° |
C1 | N7 | C6 | C61 | 66.2° | 160.8° |
C1 | N7 | C6 | C7 | 168.2° | 179.9° |
C1 | N7 | C6 | H6 | 176.4° | 41.6° |
C1 | N7 | C7 | C70 | 131.6° | 84.1° |
C1 | N7 | C7 | H71A | 6.3° | 35.9° |
C1 | N7 | C7 | H72 | 103.1° | 155.9° |
O1 | C1 | N2 | C2 | 16.3° | 7.6° |
O1 | C1 | N2 | C3 | 151.0° | 172.3° |
O1 | C1 | N7 | C6 | 154.5° | 162.4° |
O1 | C1 | N7 | C7 | 13.6° | 17.5° |
C20 | C2 | N2 | H21A | 125.3° | 120.1° |
C20 | C2 | N2 | H22 | 125.3° | 120.0° |
C20 | C2 | H21A | H22 | 115.5° | 120.0° |
C20 | C2 | N2 | C3 | 58.9° | 89.9° |
C2 | C20 | C21 | C25 | 177.1° | 179.7° |
C2 | C20 | C21 | C22 | 176.1° | 179.8° |
C2 | C20 | C21 | H21 | 3.9° | 0.3° |
C2 | C20 | C25 | C24 | 176.4° | 180.0° |
C2 | C20 | C25 | H25 | 3.6° | 0.1° |
N2 | C2 | H21A | H22 | 115.4° | 120.0° |
C2 | N2 | C3 | C4 | 123.6° | 136.6° |
C2 | N2 | C3 | C31 | 102.3° | 103.4° |
C2 | N2 | C3 | H3 | 14.9° | 16.0° |
N2 | C2 | C20 | C21 | 139.4° | 90.3° |
N2 | C2 | C20 | C25 | 43.5° | 90.0° |
H21A | C2 | N2 | C3 | 175.8° | 30.1° |
H21A | C2 | C20 | C21 | 95.3° | 149.7° |
H21A | C2 | C20 | C25 | 81.8° | 30.0° |
H22 | C2 | N2 | C3 | 66.4° | 150.1° |
H22 | C2 | C20 | C21 | 14.2° | 29.7° |
H22 | C2 | C20 | C25 | 168.8° | 150.0° |
C4 | C3 | C31 | N2 | 135.1° | 121.2° |
C4 | C3 | C31 | H3 | 109.3° | 119.4° |
C4 | C3 | N2 | H3 | 108.7° | 120.6° |
C3 | C4 | C5 | O4 | 116.8° | 120.7° |
C3 | C4 | C5 | H4 | 121.9° | 120.6° |
C3 | C4 | O4 | H4 | 121.9° | 118.8° |
C3 | C4 | C5 | C6 | 70.9° | 30.9° |
C3 | C4 | C5 | O5 | 172.2° | 151.4° |
C3 | C4 | C5 | H5 | 50.9° | 89.7° |
C4 | C3 | C31 | C32 | 151.7° | 120.4° |
C4 | C3 | C31 | H311 | 26.5° | 0.5° |
C4 | C3 | C31 | H312 | 83.0° | 119.6° |
C3 | C4 | O4 | HO4 | 180.0° | 178.8° |
C31 | C3 | N2 | H3 | 117.2° | 119.4° |
C31 | C3 | C4 | C5 | 56.6° | 34.9° |
C31 | C3 | C4 | O4 | 62.8° | 85.7° |
C31 | C3 | C4 | H4 | 176.0° | 155.5° |
C3 | C31 | C32 | H311 | 125.3° | 120.0° |
C3 | C31 | C32 | H312 | 125.2° | 120.0° |
C3 | C31 | H311 | H312 | 116.3° | 120.1° |
C3 | C31 | C32 | C33 | 102.7° | 90.0° |
C3 | C31 | C32 | C37 | 75.4° | 90.3° |
N2 | C3 | C4 | C5 | 74.7° | 85.3° |
N2 | C3 | C4 | O4 | 165.9° | 154.1° |
N2 | C3 | C4 | H4 | 44.7° | 35.3° |
N2 | C3 | C31 | C32 | 73.1° | 118.3° |
N2 | C3 | C31 | H311 | 161.6° | 121.7° |
N2 | C3 | C31 | H312 | 52.1° | 1.6° |
H3 | C3 | C4 | C5 | 172.1° | 154.2° |
H3 | C3 | C4 | O4 | 52.6° | 33.6° |
H3 | C3 | C4 | H4 | 68.5° | 85.2° |
H3 | C3 | C31 | C32 | 42.4° | 1.1° |
H3 | C3 | C31 | H311 | 82.9° | 118.9° |
H3 | C3 | C31 | H312 | 167.7° | 121.0° |
C5 | C4 | O4 | H4 | 119.5° | 118.7° |
C4 | C5 | C6 | O5 | 119.7° | 120.5° |
C4 | C5 | C6 | H5 | 119.2° | 120.5° |
C4 | C5 | O5 | H5 | 119.3° | 119.0° |
C4 | C5 | C6 | C61 | 56.2° | 173.8° |
C4 | C5 | C6 | N7 | 74.7° | 53.6° |
C4 | C5 | C6 | H6 | 172.4° | 66.9° |
C5 | C4 | O4 | HO4 | 61.3° | 58.7° |
C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
O4 | C4 | C5 | C6 | 172.3° | 151.6° |
O4 | C4 | C5 | O5 | 55.4° | 88.0° |
O4 | C4 | C5 | H5 | 65.9° | 31.0° |
H4 | C4 | C5 | C6 | 51.0° | 89.6° |
H4 | C4 | C5 | O5 | 65.9° | 30.8° |
H4 | C4 | C5 | H5 | 172.8° | 149.8° |
H4 | C4 | O4 | HO4 | 58.2° | 60.0° |
C6 | C5 | O5 | H5 | 121.7° | 119.0° |
C5 | C6 | C61 | N7 | 134.7° | 121.3° |
C5 | C6 | C61 | H6 | 110.3° | 119.4° |
C5 | C6 | N7 | H6 | 109.4° | 120.4° |
C5 | C6 | N7 | C7 | 124.8° | 101.2° |
C5 | C6 | C61 | C62 | 160.8° | 65.5° |
C5 | C6 | C61 | H611 | 35.6° | 54.5° |
C5 | C6 | C61 | H612 | 74.0° | 174.5° |
C6 | C5 | O5 | HO5 | 61.0° | 178.0° |
O5 | C5 | C6 | C61 | 63.4° | 53.3° |
O5 | C5 | C6 | N7 | 165.6° | 66.9° |
O5 | C5 | C6 | H6 | 52.8° | 172.6° |
H5 | C5 | C6 | C61 | 175.5° | 65.7° |
H5 | C5 | C6 | N7 | 44.5° | 174.1° |
H5 | C5 | C6 | H6 | 68.4° | 53.7° |
H5 | C5 | O5 | HO5 | 60.7° | 59.0° |
C61 | C6 | N7 | H6 | 117.4° | 119.3° |
C61 | C6 | N7 | C7 | 102.0° | 19.1° |
C6 | C61 | C62 | H611 | 125.2° | 120.0° |
C6 | C61 | C62 | H612 | 125.3° | 120.0° |
C6 | C61 | H611 | H612 | 116.3° | 120.0° |
C6 | C61 | C62 | C63 | 72.6° | 95.2° |
C6 | C61 | C62 | C67 | 104.3° | 85.1° |
C6 | N7 | C7 | C70 | 59.3° | 96.0° |
C6 | N7 | C7 | H71A | 175.4° | 144.0° |
C6 | N7 | C7 | H72 | 65.9° | 24.1° |
N7 | C6 | C61 | C62 | 64.5° | 173.2° |
N7 | C6 | C61 | H611 | 170.3° | 66.8° |
N7 | C6 | C61 | H612 | 60.7° | 53.2° |
H6 | C6 | N7 | C7 | 15.4° | 138.4° |
H6 | C6 | C61 | C62 | 50.5° | 53.9° |
H6 | C6 | C61 | H611 | 74.7° | 173.9° |
H6 | C6 | C61 | H612 | 175.7° | 66.1° |
C70 | C7 | N7 | H71A | 125.3° | 120.0° |
C70 | C7 | N7 | H72 | 125.3° | 120.0° |
C70 | C7 | H71A | H72 | 115.7° | 120.0° |
C7 | C70 | C71 | C75 | 177.4° | 179.8° |
C7 | C70 | C71 | C72 | 177.6° | 179.7° |
C7 | C70 | C71 | H71 | 2.4° | 0.2° |
C7 | C70 | C75 | C74 | 176.5° | 180.0° |
C7 | C70 | C75 | H75 | 3.4° | 0.0° |
N7 | C7 | H71A | H72 | 115.7° | 120.0° |
N7 | C7 | C70 | C71 | 142.6° | 96.9° |
N7 | C7 | C70 | C75 | 40.1° | 83.3° |
H71A | C7 | C70 | C71 | 92.1° | 143.0° |
H71A | C7 | C70 | C75 | 85.2° | 36.8° |
H72 | C7 | C70 | C71 | 17.3° | 23.1° |
H72 | C7 | C70 | C75 | 165.4° | 156.7° |
C20 | C21 | C22 | H21 | 180.0° | 179.4° |
C20 | C21 | C22 | C23 | 0.9° | 0.5° |
C20 | C21 | C22 | C26 | 177.2° | 179.7° |
C21 | C20 | C25 | C24 | 0.6° | 0.3° |
C21 | C20 | C25 | H25 | 179.4° | 179.8° |
C25 | C20 | C21 | C22 | 1.0° | 0.6° |
C25 | C20 | C21 | H21 | 179.0° | 180.0° |
C20 | C25 | C24 | C23 | 0.1° | 0.0° |
C20 | C25 | C24 | H25 | 180.0° | 180.0° |
C20 | C25 | C24 | H24 | 179.9° | 179.9° |
C21 | C22 | C23 | C26 | 178.2° | 179.8° |
C21 | C22 | C23 | C24 | 0.4° | 0.2° |
C21 | C22 | C23 | H23 | 179.6° | 179.7° |
C21 | C22 | C26 | N26 | 26.0° | 179.7° |
C21 | C22 | C26 | O26 | 156.2° | 0.2° |
H21 | C21 | C22 | C23 | 179.1° | 180.0° |
H21 | C21 | C22 | C26 | 2.7° | 0.2° |
C22 | C23 | C24 | H23 | 180.0° | 180.0° |
C22 | C23 | C24 | C25 | 0.0° | 0.1° |
C22 | C23 | C24 | H24 | 180.0° | 180.0° |
C23 | C22 | C26 | N26 | 152.2° | 0.1° |
C23 | C22 | C26 | O26 | 25.7° | 180.0° |
C26 | C22 | C23 | C24 | 177.8° | 180.0° |
C26 | C22 | C23 | H23 | 2.2° | 0.0° |
C22 | C26 | N26 | O26 | 177.8° | 179.9° |
C22 | C26 | N26 | C27 | 166.3° | 180.0° |
C22 | C26 | N26 | HN6 | 13.6° | 0.1° |
C23 | C24 | C25 | H24 | 179.9° | 179.9° |
C23 | C24 | C25 | H25 | 179.9° | 179.9° |
H23 | C23 | C24 | C25 | 180.0° | 180.0° |
H23 | C23 | C24 | H24 | 0.0° | 0.1° |
H24 | C24 | C25 | H25 | 0.1° | 0.0° |
C26 | N26 | C27 | HN6 | 179.9° | 180.0° |
C26 | N26 | C27 | N3 | 0.0° | 0.0° |
C26 | N26 | C27 | N27 | 175.2° | 179.7° |
O26 | C26 | N26 | C27 | 11.5° | 0.0° |
O26 | C26 | N26 | HN6 | 168.5° | 180.0° |
N26 | C27 | N3 | N27 | 175.5° | 179.7° |
N26 | C27 | N27 | C28 | 175.3° | 179.9° |
N26 | C27 | N3 | C29 | 175.1° | 180.0° |
N26 | C27 | N3 | HN3 | 4.9° | 0.0° |
C27 | N3 | C29 | C9 | 179.3° | 179.9° |
C27 | N3 | C29 | C28 | 0.2° | 0.0° |
N3 | C27 | N27 | C28 | 0.4° | 0.4° |
C27 | N3 | C29 | HN3 | 180.0° | 180.0° |
N3 | C27 | N26 | HN6 | 179.9° | 180.0° |
C27 | N27 | C28 | C14 | 179.0° | 179.9° |
C27 | N27 | C28 | C29 | 0.2° | 0.4° |
N27 | C27 | N3 | C29 | 0.4° | 0.2° |
N27 | C27 | N26 | HN6 | 4.8° | 0.3° |
N27 | C27 | N3 | HN3 | 179.6° | 179.7° |
C11 | C9 | C29 | H9 | 179.9° | 179.9° |
C9 | C11 | C13 | H11 | 180.0° | 179.9° |
C9 | C11 | C13 | C14 | 0.0° | 0.0° |
C9 | C11 | C13 | H13 | 180.0° | 180.0° |
C11 | C9 | C29 | C28 | 0.2° | 0.0° |
C11 | C9 | C29 | N3 | 179.2° | 180.0° |
C29 | C9 | C11 | C13 | 0.1° | 0.0° |
C29 | C9 | C11 | H11 | 179.8° | 179.9° |
C9 | C29 | C28 | C14 | 0.2° | 0.0° |
C9 | C29 | C28 | N3 | 179.6° | 180.0° |
C9 | C29 | C28 | N27 | 179.6° | 179.7° |
C9 | C29 | N3 | HN3 | 0.7° | 0.0° |
H9 | C9 | C11 | C13 | 179.9° | 179.9° |
H9 | C9 | C11 | H11 | 0.1° | 0.0° |
H9 | C9 | C29 | C28 | 179.8° | 180.0° |
H9 | C9 | C29 | N3 | 0.7° | 0.1° |
C11 | C13 | C14 | H13 | 180.0° | 180.0° |
C11 | C13 | C14 | C28 | 0.0° | 0.0° |
C11 | C13 | C14 | H14 | 180.0° | 179.9° |
H11 | C11 | C13 | C14 | 179.9° | 180.0° |
H11 | C11 | C13 | H13 | 0.0° | 0.1° |
C13 | C14 | C28 | H14 | 180.0° | 179.9° |
C13 | C14 | C28 | C29 | 0.1° | 0.0° |
C13 | C14 | C28 | N27 | 179.2° | 179.7° |
H13 | C13 | C14 | C28 | 180.0° | 180.0° |
H13 | C13 | C14 | H14 | 0.0° | 0.1° |
C14 | C28 | C29 | N27 | 179.4° | 179.8° |
C14 | C28 | C29 | N3 | 179.4° | 180.0° |
H14 | C14 | C28 | C29 | 179.9° | 179.9° |
H14 | C14 | C28 | N27 | 0.7° | 0.4° |
C28 | C29 | N3 | HN3 | 179.8° | 180.0° |
N27 | C28 | C29 | N3 | 0.0° | 0.2° |
C32 | C31 | H311 | H312 | 116.3° | 119.9° |
C31 | C32 | C33 | C37 | 178.1° | 179.7° |
C31 | C32 | C33 | C34 | 177.8° | 180.0° |
C31 | C32 | C33 | H33 | 2.2° | 0.1° |
C31 | C32 | C37 | C36 | 177.8° | 179.8° |
C31 | C32 | C37 | H37 | 2.2° | 0.3° |
H311 | C31 | C32 | C33 | 132.0° | 30.0° |
H311 | C31 | C32 | C37 | 49.9° | 149.7° |
H312 | C31 | C32 | C33 | 22.5° | 150.0° |
H312 | C31 | C32 | C37 | 159.3° | 29.7° |
C32 | C33 | C34 | H33 | 180.0° | 180.0° |
C32 | C33 | C34 | C35 | 0.2° | 0.0° |
C32 | C33 | C34 | H34 | 179.8° | 180.0° |
C33 | C32 | C37 | C36 | 0.4° | 0.5° |
C33 | C32 | C37 | H37 | 179.6° | 180.0° |
C37 | C32 | C33 | C34 | 0.4° | 0.3° |
C37 | C32 | C33 | H33 | 179.6° | 179.7° |
C32 | C37 | C36 | C35 | 0.2° | 0.4° |
C32 | C37 | C36 | H37 | 180.0° | 179.5° |
C32 | C37 | C36 | H36 | 179.8° | 179.7° |
C33 | C34 | C35 | H34 | 180.0° | 180.0° |
C33 | C34 | C35 | C36 | 0.0° | 0.1° |
C33 | C34 | C35 | H35 | 180.0° | 180.0° |
H33 | C33 | C34 | C35 | 179.8° | 180.0° |
H33 | C33 | C34 | H34 | 0.2° | 0.0° |
C34 | C35 | C36 | H35 | 180.0° | 179.9° |
C34 | C35 | C36 | C37 | 0.0° | 0.1° |
C34 | C35 | C36 | H36 | 180.0° | 180.0° |
H34 | C34 | C35 | C36 | 179.9° | 179.9° |
H34 | C34 | C35 | H35 | 0.1° | 0.0° |
C35 | C36 | C37 | H36 | 180.0° | 179.9° |
C35 | C36 | C37 | H37 | 179.8° | 179.9° |
H35 | C35 | C36 | C37 | 180.0° | 179.8° |
H35 | C35 | C36 | H36 | 0.0° | 0.1° |
H36 | C36 | C37 | H37 | 0.2° | 0.2° |
C62 | C61 | H611 | H612 | 116.3° | 120.0° |
C61 | C62 | C63 | C67 | 176.9° | 179.7° |
C61 | C62 | C63 | C64 | 175.9° | 180.0° |
C61 | C62 | C63 | H63 | 4.1° | 0.1° |
C61 | C62 | C67 | C66 | 176.2° | 179.8° |
C61 | C62 | C67 | H67 | 3.8° | 0.2° |
H611 | C61 | C62 | C63 | 52.6° | 24.8° |
H611 | C61 | C62 | C67 | 130.5° | 154.9° |
H612 | C61 | C62 | C63 | 162.1° | 144.7° |
H612 | C61 | C62 | C67 | 21.0° | 35.0° |
C62 | C63 | C64 | H63 | 180.0° | 179.9° |
C62 | C63 | C64 | C65 | 0.6° | 0.1° |
C62 | C63 | C64 | H64 | 179.4° | 179.9° |
C63 | C62 | C67 | C66 | 0.7° | 0.5° |
C63 | C62 | C67 | H67 | 179.3° | 179.9° |
C67 | C62 | C63 | C64 | 1.0° | 0.3° |
C67 | C62 | C63 | H63 | 179.0° | 179.8° |
C62 | C67 | C66 | C65 | 0.0° | 0.4° |
C62 | C67 | C66 | H67 | 180.0° | 179.6° |
C62 | C67 | C66 | H66 | 180.0° | 179.7° |
C63 | C64 | C65 | H64 | 180.0° | 180.0° |
C63 | C64 | C65 | C66 | 0.2° | 0.0° |
C63 | C64 | C65 | H65 | 179.8° | 180.0° |
H63 | C63 | C64 | C65 | 179.4° | 180.0° |
H63 | C63 | C64 | H64 | 0.6° | 0.0° |
C64 | C65 | C66 | H65 | 180.0° | 180.0° |
C64 | C65 | C66 | C67 | 0.5° | 0.2° |
C64 | C65 | C66 | H66 | 179.5° | 180.0° |
H64 | C64 | C65 | C66 | 179.9° | 180.0° |
H64 | C64 | C65 | H65 | 0.1° | 0.0° |
C65 | C66 | C67 | H66 | 180.0° | 179.8° |
C65 | C66 | C67 | H67 | 179.9° | 180.0° |
H65 | C65 | C66 | C67 | 179.5° | 179.8° |
H65 | C65 | C66 | H66 | 0.5° | 0.0° |
H66 | C66 | C67 | H67 | 0.0° | 0.1° |
C70 | C71 | C72 | H71 | 180.0° | 179.5° |
C70 | C71 | C72 | C73 | 1.0° | 0.5° |
C70 | C71 | C72 | C76 | 177.2° | 179.7° |
C71 | C70 | C75 | C74 | 0.7° | 0.2° |
C71 | C70 | C75 | H75 | 179.4° | 179.8° |
C75 | C70 | C71 | C72 | 0.3° | 0.5° |
C75 | C70 | C71 | H71 | 179.7° | 180.0° |
C70 | C75 | C74 | C73 | 0.9° | 0.1° |
C70 | C75 | C74 | H75 | 180.0° | 179.9° |
C70 | C75 | C74 | H74 | 179.0° | 180.0° |
C71 | C72 | C73 | C76 | 178.2° | 179.8° |
C71 | C72 | C73 | C74 | 0.7° | 0.2° |
C71 | C72 | C73 | H73 | 179.3° | 179.7° |
C71 | C72 | C76 | N76 | 24.8° | 179.8° |
C71 | C72 | C76 | O76 | 156.7° | 0.3° |
H71 | C71 | C72 | C73 | 179.0° | 180.0° |
H71 | C71 | C72 | C76 | 2.8° | 0.2° |
C72 | C73 | C74 | H73 | 180.0° | 179.9° |
C72 | C73 | C74 | C75 | 0.2° | 0.1° |
C72 | C73 | C74 | H74 | 179.7° | 180.0° |
C73 | C72 | C76 | N76 | 157.0° | 0.0° |
C73 | C72 | C76 | O76 | 21.5° | 180.0° |
C76 | C72 | C73 | C74 | 177.5° | 180.0° |
C76 | C72 | C73 | H73 | 2.5° | 0.1° |
C72 | C76 | N76 | O76 | 178.5° | 180.0° |
C72 | C76 | N76 | C77 | 167.6° | 180.0° |
C72 | C76 | N76 | HN7 | 12.4° | 0.0° |
C73 | C74 | C75 | H74 | 180.0° | 179.9° |
C73 | C74 | C75 | H75 | 179.1° | 180.0° |
H73 | C73 | C74 | C75 | 179.8° | 180.0° |
H73 | C73 | C74 | H74 | 0.2° | 0.1° |
H74 | C74 | C75 | H75 | 0.9° | 0.0° |
C76 | N76 | C77 | HN7 | 180.0° | 180.0° |
C76 | N76 | C77 | N1 | 6.5° | 179.7° |
C76 | N76 | C77 | N77 | 159.6° | 0.0° |
O76 | C76 | N76 | C77 | 10.9° | 0.0° |
O76 | C76 | N76 | HN7 | 169.2° | 180.0° |
N76 | C77 | N1 | N77 | 167.1° | 179.7° |
N76 | C77 | N77 | C78 | 166.0° | 179.9° |
N76 | C77 | N1 | C79 | 165.7° | 179.9° |
N76 | C77 | N77 | HN77 | 14.0° | 0.1° |
C77 | N1 | C79 | C15 | 177.2° | 179.8° |
C77 | N1 | C79 | C78 | 0.8° | 0.4° |
N1 | C77 | N77 | C78 | 1.5° | 0.2° |
N1 | C77 | N76 | HN7 | 173.6° | 0.3° |
N1 | C77 | N77 | HN77 | 178.5° | 179.7° |
C77 | N77 | C78 | C12 | 176.9° | 180.0° |
C77 | N77 | C78 | C79 | 1.0° | 0.0° |
C77 | N77 | C78 | HN77 | 180.0° | 179.9° |
N77 | C77 | N1 | C79 | 1.5° | 0.4° |
N77 | C77 | N76 | HN7 | 20.4° | 180.0° |
C8 | C15 | C79 | H15 | 180.0° | 179.9° |
C15 | C8 | C10 | H8 | 180.0° | 179.9° |
C15 | C8 | C10 | C12 | 0.1° | 0.0° |
C15 | C8 | C10 | H10 | 179.9° | 180.0° |
C8 | C15 | C79 | C78 | 0.5° | 0.1° |
C8 | C15 | C79 | N1 | 177.2° | 179.7° |
C79 | C15 | C8 | C10 | 0.4° | 0.1° |
C79 | C15 | C8 | H8 | 179.7° | 180.0° |
C15 | C79 | C78 | C12 | 0.1° | 0.0° |
C15 | C79 | C78 | N1 | 178.3° | 179.8° |
C15 | C79 | C78 | N77 | 178.4° | 179.9° |
H15 | C15 | C8 | C10 | 179.6° | 180.0° |
H15 | C15 | C8 | H8 | 0.4° | 0.1° |
H15 | C15 | C79 | C78 | 179.5° | 179.9° |
H15 | C15 | C79 | N1 | 2.8° | 0.3° |
C8 | C10 | C12 | H10 | 180.0° | 180.0° |
C8 | C10 | C12 | C78 | 0.5° | 0.1° |
C8 | C10 | C12 | H12 | 179.6° | 180.0° |
H8 | C8 | C10 | C12 | 179.9° | 179.9° |
H8 | C8 | C10 | H10 | 0.1° | 0.1° |
C10 | C12 | C78 | H12 | 180.0° | 179.9° |
C10 | C12 | C78 | C79 | 0.3° | 0.1° |
C10 | C12 | C78 | N77 | 177.4° | 180.0° |
H10 | C10 | C12 | C78 | 179.6° | 180.0° |
H10 | C10 | C12 | H12 | 0.4° | 0.0° |
C12 | C78 | C79 | N77 | 178.3° | 180.0° |
C12 | C78 | C79 | N1 | 178.1° | 179.8° |
C12 | C78 | N77 | HN77 | 3.1° | 0.1° |
H12 | C12 | C78 | C79 | 179.7° | 180.0° |
H12 | C12 | C78 | N77 | 2.6° | 0.1° |
C79 | C78 | N77 | HN77 | 179.0° | 179.9° |
N77 | C78 | C79 | N1 | 0.1° | 0.2° |