419
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C3 | sing | 1.51Å | 1.55Å | |
| C5 | N7 | sing | 1.35Å | 1.34Å | |
| C3 | N2 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| N2 | C1 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.58Å | |
| C8 | C13 | sing | 1.51Å | 1.57Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C9 | C11 | sing | 1.53Å | 1.56Å | |
| C9 | C12 | sing | 1.53Å | 1.56Å | |
| C13 | O14 | doub | 1.21Å | 1.25Å | |
| C13 | N15 | sing | 1.35Å | 1.37Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| N15 | C19 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C16 | C22 | sing | 1.54Å | 1.55Å | |
| C19 | C18 | sing | 1.55Å | 1.52Å | |
| C18 | C17 | sing | 1.55Å | 1.53Å | |
| C17 | C20 | sing | 1.55Å | 1.54Å | |
| C20 | C21 | sing | 1.55Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C22 | N25 | sing | 1.47Å | 1.48Å | |
| N25 | C26 | sing | 1.35Å | 1.33Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C26 | C28 | sing | 1.51Å | 1.56Å | |
| C28 | C29 | sing | 1.51Å | 1.57Å | |
| C28 | C35 | sing | 1.51Å | 1.56Å | |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | C3 | 119.7° | 120.0° |
| O6 | C5 | N7 | 123.2° | 120.0° |
| C3 | C5 | N7 | 117.1° | 120.0° |
| C5 | C3 | N2 | 108.7° | 109.4° |
| C5 | C3 | C4 | 112.3° | 109.5° |
| C5 | C3 | H3 | 109.3° | 109.4° |
| C5 | N7 | C8 | 123.8° | 120.0° |
| C5 | N7 | HN7 | 118.1° | 120.0° |
| N2 | C3 | C4 | 112.8° | 109.5° |
| C3 | N2 | C1 | 117.7° | 111.0° |
| N2 | C3 | H3 | 108.8° | 109.5° |
| C3 | N2 | HN2 | 106.8° | 111.0° |
| C4 | C3 | H3 | 104.9° | 109.6° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.4° |
| C1 | N2 | HN2 | 106.8° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H1A | 109.5° | 109.5° |
| N2 | C1 | H1B | 109.4° | 109.5° |
| N7 | C8 | C9 | 113.1° | 109.5° |
| N7 | C8 | C13 | 106.4° | 109.5° |
| C8 | N7 | HN7 | 118.1° | 120.0° |
| N7 | C8 | H8 | 110.6° | 109.5° |
| C9 | C8 | C13 | 113.6° | 109.5° |
| C8 | C9 | C10 | 109.6° | 109.4° |
| C8 | C9 | C11 | 114.4° | 109.5° |
| C8 | C9 | C12 | 109.8° | 109.5° |
| C9 | C8 | H8 | 103.0° | 109.4° |
| C8 | C13 | O14 | 117.8° | 120.0° |
| C8 | C13 | N15 | 122.0° | 120.0° |
| C13 | C8 | H8 | 110.1° | 109.5° |
| C10 | C9 | C11 | 108.3° | 109.4° |
| C10 | C9 | C12 | 106.7° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.4° | 109.4° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C11 | C9 | C12 | 107.7° | 109.5° |
| C9 | C11 | H11 | 109.5° | 109.5° |
| C9 | C11 | H11A | 109.4° | 109.5° |
| C9 | C11 | H11B | 109.5° | 109.5° |
| C9 | C12 | H12 | 109.5° | 109.4° |
| C9 | C12 | H12A | 109.5° | 109.5° |
| C9 | C12 | H12B | 109.4° | 109.4° |
| O14 | C13 | N15 | 120.2° | 120.0° |
| C13 | N15 | C16 | 122.3° | 125.6° |
| C13 | N15 | C19 | 126.5° | 125.6° |
| C16 | N15 | C19 | 111.3° | 108.8° |
| N15 | C16 | C17 | 104.4° | 107.2° |
| N15 | C16 | C22 | 112.6° | 109.3° |
| N15 | C16 | H16 | 109.8° | 110.9° |
| N15 | C19 | C18 | 102.9° | 104.7° |
| N15 | C19 | H19 | 111.7° | 110.4° |
| N15 | C19 | H19A | 113.1° | 110.4° |
| C17 | C16 | C22 | 106.5° | 106.5° |
| C16 | C17 | C18 | 105.1° | 103.3° |
| C16 | C17 | C20 | 105.5° | 104.2° |
| C17 | C16 | H16 | 115.7° | 111.0° |
| C16 | C17 | H17 | 117.1° | 113.2° |
| C16 | C22 | C21 | 102.6° | 106.8° |
| C16 | C22 | N25 | 112.0° | 110.0° |
| C22 | C16 | H16 | 107.9° | 111.7° |
| C16 | C22 | H22 | 112.8° | 110.0° |
| C19 | C18 | C17 | 103.8° | 102.1° |
| C18 | C19 | H19 | 111.7° | 110.4° |
| C18 | C19 | H19A | 113.1° | 110.3° |
| C19 | C18 | H18 | 111.4° | 110.9° |
| C19 | C18 | H18A | 112.7° | 110.9° |
| C18 | C17 | C20 | 115.8° | 108.6° |
| C17 | C18 | H18 | 111.4° | 110.8° |
| C17 | C18 | H18A | 112.6° | 111.0° |
| C18 | C17 | H17 | 107.0° | 113.0° |
| C17 | C20 | C21 | 106.3° | 102.9° |
| C20 | C17 | H17 | 106.7° | 113.7° |
| C17 | C20 | H20 | 110.6° | 110.7° |
| C17 | C20 | H20A | 111.2° | 110.7° |
| C20 | C21 | C22 | 104.0° | 104.2° |
| C21 | C20 | H20 | 110.5° | 110.7° |
| C21 | C20 | H20A | 111.2° | 110.7° |
| C20 | C21 | H21 | 111.4° | 110.5° |
| C20 | C21 | H21A | 112.5° | 110.5° |
| C21 | C22 | N25 | 110.8° | 110.0° |
| C22 | C21 | H21 | 111.3° | 110.5° |
| C22 | C21 | H21A | 112.5° | 110.5° |
| C21 | C22 | H22 | 114.0° | 110.0° |
| C22 | N25 | C26 | 123.1° | 120.0° |
| N25 | C22 | H22 | 104.8° | 110.0° |
| C22 | N25 | HN25 | 118.4° | 120.0° |
| N25 | C26 | O27 | 123.5° | 120.0° |
| N25 | C26 | C28 | 116.7° | 120.0° |
| C26 | N25 | HN25 | 118.4° | 120.0° |
| O27 | C26 | C28 | 119.8° | 120.0° |
| C26 | C28 | C29 | 115.4° | 109.5° |
| C26 | C28 | C35 | 105.9° | 109.5° |
| C26 | C28 | H28 | 109.8° | 109.5° |
| C29 | C28 | C35 | 114.5° | 109.4° |
| C28 | C29 | C30 | 117.0° | 120.0° |
| C28 | C29 | C34 | 124.5° | 120.0° |
| C29 | C28 | H28 | 100.2° | 109.5° |
| C28 | C35 | C36 | 122.4° | 120.0° |
| C28 | C35 | C40 | 118.5° | 120.0° |
| C35 | C28 | H28 | 110.9° | 109.4° |
| C30 | C29 | C34 | 118.5° | 120.0° |
| C29 | C30 | C31 | 120.4° | 120.0° |
| C29 | C30 | H30 | 119.8° | 120.0° |
| C29 | C34 | C33 | 120.4° | 120.0° |
| C29 | C34 | H34 | 119.8° | 120.0° |
| C30 | C31 | C32 | 120.4° | 120.0° |
| C31 | C30 | H30 | 119.8° | 120.0° |
| C30 | C31 | H31 | 119.8° | 120.0° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C32 | C31 | H31 | 119.8° | 120.0° |
| C31 | C32 | H32 | 119.9° | 120.0° |
| C32 | C33 | C34 | 120.3° | 120.0° |
| C33 | C32 | H32 | 119.9° | 120.0° |
| C32 | C33 | H33 | 119.9° | 120.0° |
| C34 | C33 | H33 | 119.9° | 120.0° |
| C33 | C34 | H34 | 119.8° | 120.0° |
| C36 | C35 | C40 | 119.1° | 119.9° |
| C35 | C36 | C37 | 120.4° | 120.1° |
| C35 | C36 | H36 | 119.8° | 119.9° |
| C35 | C40 | C39 | 120.2° | 120.0° |
| C35 | C40 | H40 | 119.9° | 119.9° |
| C36 | C37 | C38 | 119.8° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | H37 | 120.1° | 120.0° |
| C37 | C38 | C39 | 120.4° | 120.0° |
| C38 | C37 | H37 | 120.1° | 120.0° |
| C37 | C38 | H38 | 119.8° | 120.0° |
| C38 | C39 | C40 | 120.2° | 120.0° |
| C39 | C38 | H38 | 119.8° | 120.0° |
| C38 | C39 | H39 | 119.9° | 120.0° |
| C40 | C39 | H39 | 119.9° | 120.0° |
| C39 | C40 | H40 | 119.9° | 120.1° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.4° | 109.4° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.4° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H19 | C19 | H19A | 104.5° | 110.5° |
| H18 | C18 | H18A | 105.2° | 110.9° |
| H20 | C20 | H20A | 107.0° | 110.8° |
| H21 | C21 | H21A | 105.3° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | C3 | N7 | 179.5° | 179.8° |
| O6 | C5 | C3 | N2 | 24.6° | 0.0° |
| O6 | C5 | C3 | C4 | 100.9° | 120.0° |
| O6 | C5 | N7 | C8 | 4.1° | 0.0° |
| O6 | C5 | C3 | H3 | 143.2° | 119.9° |
| O6 | C5 | N7 | HN7 | 175.9° | 180.0° |
| C5 | C3 | N2 | C4 | 125.2° | 120.0° |
| C5 | C3 | N2 | H3 | 118.9° | 119.9° |
| C5 | C3 | C4 | H3 | 118.6° | 120.0° |
| C5 | C3 | N2 | C1 | 64.7° | 155.0° |
| C3 | C5 | N7 | C8 | 176.4° | 179.7° |
| C5 | C3 | N2 | HN2 | 55.3° | 31.1° |
| C5 | C3 | C4 | H4 | 145.3° | 60.0° |
| C5 | C3 | C4 | H4A | 94.7° | 60.0° |
| C5 | C3 | C4 | H4B | 25.3° | 180.0° |
| C3 | C5 | N7 | HN7 | 3.6° | 0.3° |
| N7 | C5 | C3 | N2 | 155.9° | 179.7° |
| N7 | C5 | C3 | C4 | 78.6° | 59.8° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | C9 | 99.3° | 85.0° |
| C5 | N7 | C8 | C13 | 135.3° | 155.0° |
| N7 | C5 | C3 | H3 | 37.3° | 60.3° |
| C5 | N7 | C8 | H8 | 15.6° | 35.0° |
| N2 | C3 | C4 | H3 | 118.2° | 120.0° |
| C3 | N2 | C1 | HN2 | 120.0° | 123.9° |
| C3 | N2 | C1 | H1 | 95.3° | 180.0° |
| C3 | N2 | C1 | H1A | 144.7° | 60.0° |
| C3 | N2 | C1 | H1B | 24.7° | 60.1° |
| N2 | C3 | C4 | H4 | 91.5° | 60.0° |
| N2 | C3 | C4 | H4A | 28.5° | 180.0° |
| N2 | C3 | C4 | H4B | 148.5° | 60.0° |
| C4 | C3 | N2 | C1 | 170.1° | 85.0° |
| C4 | C3 | N2 | HN2 | 69.9° | 151.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C1 | N2 | C3 | H3 | 54.2° | 35.1° |
| N2 | C1 | H1 | H1A | 120.0° | 120.0° |
| N2 | C1 | H1 | H1B | 120.0° | 120.0° |
| N2 | C1 | H1A | H1B | 120.0° | 120.0° |
| N7 | C8 | C9 | C13 | 121.4° | 120.0° |
| N7 | C8 | C9 | H8 | 119.5° | 120.0° |
| N7 | C8 | C13 | H8 | 119.9° | 120.1° |
| N7 | C8 | C9 | C10 | 52.2° | 63.8° |
| N7 | C8 | C9 | C11 | 69.6° | 176.2° |
| N7 | C8 | C9 | C12 | 169.2° | 56.2° |
| N7 | C8 | C13 | O14 | 42.0° | 28.5° |
| N7 | C8 | C13 | N15 | 139.8° | 151.4° |
| C9 | C8 | C13 | H8 | 114.9° | 119.9° |
| C8 | C9 | C10 | C11 | 125.4° | 120.0° |
| C8 | C9 | C10 | C12 | 118.9° | 120.0° |
| C8 | C9 | C11 | C12 | 122.4° | 120.1° |
| C9 | C8 | C13 | O14 | 83.2° | 91.5° |
| C9 | C8 | C13 | N15 | 95.1° | 88.6° |
| C9 | C8 | N7 | HN7 | 80.7° | 95.0° |
| C8 | C9 | C10 | H10 | 127.3° | 60.0° |
| C8 | C9 | C10 | H10A | 7.3° | 180.0° |
| C8 | C9 | C10 | H10B | 112.7° | 60.0° |
| C8 | C9 | C11 | H11 | 50.6° | 62.9° |
| C8 | C9 | C11 | H11A | 69.4° | 177.1° |
| C8 | C9 | C11 | H11B | 170.6° | 57.0° |
| C8 | C9 | C12 | H12 | 91.5° | 59.9° |
| C8 | C9 | C12 | H12A | 28.5° | 180.0° |
| C8 | C9 | C12 | H12B | 148.5° | 60.0° |
| C13 | C8 | C9 | C10 | 173.7° | 56.2° |
| C13 | C8 | C9 | C11 | 51.9° | 63.7° |
| C13 | C8 | C9 | C12 | 69.3° | 176.2° |
| C8 | C13 | O14 | N15 | 178.3° | 179.9° |
| C8 | C13 | N15 | C16 | 166.8° | 175.6° |
| C8 | C13 | N15 | C19 | 12.7° | 4.7° |
| C13 | C8 | N7 | HN7 | 44.8° | 25.0° |
| C10 | C9 | C11 | C12 | 115.1° | 120.0° |
| C10 | C9 | C8 | H8 | 67.2° | 176.2° |
| C9 | C10 | H10 | H10A | 120.0° | 119.9° |
| C9 | C10 | H10 | H10B | 120.0° | 120.0° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C9 | C11 | H11 | 72.0° | 177.1° |
| C10 | C9 | C11 | H11A | 168.1° | 57.1° |
| C10 | C9 | C11 | H11B | 48.0° | 62.9° |
| C10 | C9 | C12 | H12 | 149.7° | 60.0° |
| C10 | C9 | C12 | H12A | 90.3° | 60.0° |
| C10 | C9 | C12 | H12B | 29.7° | 180.0° |
| C11 | C9 | C8 | H8 | 171.0° | 56.2° |
| C11 | C9 | C10 | H10 | 107.3° | 60.0° |
| C11 | C9 | C10 | H10A | 132.7° | 60.0° |
| C11 | C9 | C10 | H10B | 12.7° | 180.0° |
| C9 | C11 | H11 | H11A | 120.0° | 120.0° |
| C9 | C11 | H11 | H11B | 120.0° | 120.0° |
| C9 | C11 | H11A | H11B | 120.0° | 120.1° |
| C11 | C9 | C12 | H12 | 33.6° | 180.0° |
| C11 | C9 | C12 | H12A | 153.6° | 60.0° |
| C11 | C9 | C12 | H12B | 86.4° | 60.1° |
| C12 | C9 | C8 | H8 | 49.8° | 63.8° |
| C12 | C9 | C10 | H10 | 8.4° | 179.9° |
| C12 | C9 | C10 | H10A | 111.6° | 60.0° |
| C12 | C9 | C10 | H10B | 128.4° | 60.0° |
| C12 | C9 | C11 | H11 | 173.0° | 57.1° |
| C12 | C9 | C11 | H11A | 53.0° | 62.8° |
| C12 | C9 | C11 | H11B | 67.0° | 177.1° |
| C9 | C12 | H12 | H12A | 120.0° | 120.1° |
| C9 | C12 | H12 | H12B | 120.0° | 119.9° |
| C9 | C12 | H12A | H12B | 120.0° | 120.0° |
| O14 | C13 | N15 | C16 | 11.4° | 4.5° |
| O14 | C13 | N15 | C19 | 169.0° | 175.2° |
| O14 | C13 | C8 | H8 | 161.9° | 148.6° |
| C13 | N15 | C16 | C19 | 179.6° | 179.7° |
| C13 | N15 | C16 | C17 | 173.2° | 175.9° |
| C13 | N15 | C16 | C22 | 71.7° | 69.1° |
| C13 | N15 | C19 | C18 | 153.6° | 154.2° |
| N15 | C13 | C8 | H8 | 19.8° | 31.4° |
| C13 | N15 | C16 | H16 | 48.5° | 54.6° |
| C13 | N15 | C19 | H19 | 33.6° | 35.3° |
| C13 | N15 | C19 | H19A | 84.0° | 87.1° |
| N15 | C16 | C17 | C22 | 119.3° | 116.9° |
| N15 | C16 | C17 | H16 | 120.8° | 121.3° |
| N15 | C16 | C22 | H16 | 121.4° | 123.2° |
| C16 | N15 | C19 | C18 | 26.8° | 25.6° |
| N15 | C16 | C17 | C18 | 15.3° | 19.3° |
| N15 | C16 | C17 | C20 | 107.6° | 94.1° |
| N15 | C16 | C22 | C21 | 82.3° | 116.3° |
| N15 | C16 | C22 | N25 | 158.8° | 124.4° |
| C16 | N15 | C19 | H19 | 146.8° | 144.4° |
| C16 | N15 | C19 | H19A | 95.6° | 93.2° |
| N15 | C16 | C17 | H17 | 133.9° | 141.9° |
| N15 | C16 | C22 | H22 | 40.7° | 3.0° |
| C19 | N15 | C16 | C17 | 7.2° | 3.8° |
| C19 | N15 | C16 | C22 | 107.9° | 111.2° |
| N15 | C19 | C18 | H19 | 120.0° | 118.8° |
| N15 | C19 | C18 | H19A | 122.4° | 118.8° |
| N15 | C19 | C18 | C17 | 35.1° | 36.7° |
| C19 | N15 | C16 | H16 | 131.9° | 125.1° |
| N15 | C19 | H19 | H19A | 122.7° | 122.3° |
| N15 | C19 | C18 | H18 | 84.9° | 81.3° |
| N15 | C19 | C18 | H18A | 157.2° | 155.0° |
| C17 | C16 | C22 | H16 | 124.8° | 121.3° |
| C16 | C17 | C18 | C19 | 31.4° | 33.6° |
| C16 | C17 | C18 | C20 | 116.0° | 110.2° |
| C16 | C17 | C18 | H17 | 125.2° | 122.7° |
| C16 | C17 | C20 | H17 | 125.2° | 123.7° |
| C16 | C17 | C20 | C21 | 12.9° | 37.5° |
| C17 | C16 | C22 | C21 | 31.5° | 0.8° |
| C17 | C16 | C22 | N25 | 87.4° | 120.1° |
| C16 | C17 | C18 | H18 | 88.6° | 84.5° |
| C16 | C17 | C18 | H18A | 153.5° | 151.9° |
| C16 | C17 | C20 | H20 | 107.2° | 155.8° |
| C16 | C17 | C20 | H20A | 134.1° | 80.9° |
| C17 | C16 | C22 | H22 | 154.6° | 118.5° |
| C22 | C16 | C17 | C18 | 134.6° | 136.3° |
| C22 | C16 | C17 | C20 | 11.7° | 22.8° |
| C16 | C22 | C21 | C20 | 39.3° | 24.1° |
| C16 | C22 | C21 | N25 | 119.7° | 119.3° |
| C16 | C22 | C21 | H22 | 122.3° | 119.4° |
| C16 | C22 | N25 | H22 | 122.7° | 121.4° |
| C16 | C22 | N25 | C26 | 114.9° | 155.0° |
| C22 | C16 | C17 | H17 | 106.8° | 101.2° |
| C16 | C22 | C21 | H21 | 159.3° | 94.5° |
| C16 | C22 | C21 | H21A | 82.8° | 142.8° |
| C16 | C22 | N25 | HN25 | 65.1° | 25.0° |
| C19 | C18 | C17 | H18 | 120.0° | 118.1° |
| C19 | C18 | C17 | H18A | 122.1° | 118.2° |
| C19 | C18 | C17 | C20 | 84.6° | 76.5° |
| C18 | C19 | H19 | H19A | 122.7° | 122.3° |
| C19 | C18 | H18 | H18A | 122.3° | 123.7° |
| C19 | C18 | C17 | H17 | 156.6° | 156.3° |
| C18 | C17 | C20 | H17 | 119.0° | 126.7° |
| C18 | C17 | C20 | C21 | 102.9° | 147.0° |
| C18 | C17 | C16 | H16 | 105.5° | 102.0° |
| C17 | C18 | C19 | H19 | 155.1° | 155.6° |
| C17 | C18 | C19 | H19A | 87.3° | 82.0° |
| C17 | C18 | H18 | H18A | 122.3° | 123.7° |
| C18 | C17 | C20 | H20 | 137.1° | 94.6° |
| C18 | C17 | C20 | H20A | 18.3° | 28.7° |
| C17 | C20 | C21 | H20 | 120.0° | 118.3° |
| C17 | C20 | C21 | H20A | 121.2° | 118.3° |
| C17 | C20 | C21 | C22 | 32.8° | 38.0° |
| C20 | C17 | C16 | H16 | 131.6° | 144.6° |
| C20 | C17 | C18 | H18 | 155.4° | 165.3° |
| C20 | C17 | C18 | H18A | 37.5° | 41.7° |
| C17 | C20 | H20 | H20A | 121.3° | 123.2° |
| C17 | C20 | C21 | H21 | 152.7° | 80.6° |
| C17 | C20 | C21 | H21A | 89.3° | 156.7° |
| C20 | C21 | C22 | H21 | 120.0° | 118.6° |
| C20 | C21 | C22 | H21A | 122.0° | 118.7° |
| C20 | C21 | C22 | N25 | 80.5° | 143.4° |
| C21 | C20 | C17 | H17 | 138.1° | 86.3° |
| C21 | C20 | H20 | H20A | 121.3° | 123.3° |
| C20 | C21 | H21 | H21A | 122.2° | 122.6° |
| C20 | C21 | C22 | H22 | 161.5° | 95.3° |
| C21 | C22 | N25 | H22 | 123.4° | 121.3° |
| C21 | C22 | N25 | C26 | 131.2° | 87.7° |
| C21 | C22 | C16 | H16 | 156.3° | 120.5° |
| C22 | C21 | C20 | H20 | 87.3° | 156.3° |
| C22 | C21 | C20 | H20A | 154.0° | 80.3° |
| C22 | C21 | H21 | H21A | 122.2° | 122.7° |
| C21 | C22 | N25 | HN25 | 48.8° | 92.3° |
| C22 | N25 | C26 | HN25 | 180.0° | 180.0° |
| C22 | N25 | C26 | O27 | 8.9° | 0.0° |
| C22 | N25 | C26 | C28 | 171.8° | 180.0° |
| N25 | C22 | C16 | H16 | 37.4° | 1.2° |
| N25 | C22 | C21 | H21 | 39.5° | 24.7° |
| N25 | C22 | C21 | H21A | 157.5° | 98.0° |
| N25 | C26 | O27 | C28 | 179.3° | 180.0° |
| N25 | C26 | C28 | C29 | 109.8° | 180.0° |
| N25 | C26 | C28 | C35 | 122.4° | 60.0° |
| C26 | N25 | C22 | H22 | 7.8° | 33.7° |
| N25 | C26 | C28 | H28 | 2.6° | 60.0° |
| O27 | C26 | C28 | C29 | 70.8° | 0.0° |
| O27 | C26 | C28 | C35 | 57.0° | 120.0° |
| O27 | C26 | N25 | HN25 | 171.2° | 180.0° |
| O27 | C26 | C28 | H28 | 176.8° | 120.0° |
| C26 | C28 | C29 | C35 | 123.4° | 120.0° |
| C26 | C28 | C29 | H28 | 117.9° | 120.0° |
| C26 | C28 | C35 | H28 | 119.1° | 120.0° |
| C26 | C28 | C29 | C30 | 169.3° | 125.9° |
| C26 | C28 | C29 | C34 | 11.2° | 53.8° |
| C26 | C28 | C35 | C36 | 99.5° | 127.3° |
| C26 | C28 | C35 | C40 | 80.2° | 52.9° |
| C28 | C26 | N25 | HN25 | 8.2° | 0.0° |
| C29 | C28 | C35 | H28 | 112.5° | 120.0° |
| C28 | C29 | C30 | C34 | 179.5° | 179.7° |
| C28 | C29 | C30 | C31 | 179.8° | 180.0° |
| C28 | C29 | C34 | C33 | 179.7° | 179.8° |
| C29 | C28 | C35 | C36 | 28.8° | 112.7° |
| C29 | C28 | C35 | C40 | 151.5° | 67.1° |
| C28 | C29 | C30 | H30 | 0.2° | 0.1° |
| C28 | C29 | C34 | H34 | 0.3° | 0.0° |
| C35 | C28 | C29 | C30 | 67.3° | 114.1° |
| C35 | C28 | C29 | C34 | 112.1° | 66.2° |
| C28 | C35 | C36 | C40 | 179.7° | 179.8° |
| C28 | C35 | C36 | C37 | 179.9° | 180.0° |
| C28 | C35 | C40 | C39 | 180.0° | 179.8° |
| C28 | C35 | C36 | H36 | 0.1° | 0.0° |
| C28 | C35 | C40 | H40 | 0.0° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C29 | C34 | C33 | 0.3° | 0.5° |
| C30 | C29 | C28 | H28 | 51.4° | 5.9° |
| C29 | C30 | C31 | H31 | 179.8° | 179.9° |
| C30 | C29 | C34 | H34 | 179.7° | 179.7° |
| C34 | C29 | C30 | C31 | 0.3° | 0.3° |
| C29 | C34 | C33 | C32 | 0.1° | 0.4° |
| C29 | C34 | C33 | H34 | 180.0° | 179.9° |
| C34 | C29 | C28 | H28 | 129.1° | 173.8° |
| C34 | C29 | C30 | H30 | 179.7° | 179.8° |
| C29 | C34 | C33 | H33 | 179.9° | 179.7° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.2° |
| C32 | C31 | C30 | H30 | 179.8° | 180.0° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C33 | C32 | C31 | H31 | 179.9° | 180.0° |
| C32 | C33 | C34 | H34 | 179.9° | 179.8° |
| C34 | C33 | C32 | H32 | 179.9° | 179.8° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.2° | 0.0° |
| C36 | C35 | C40 | C39 | 0.3° | 0.4° |
| C36 | C35 | C28 | H28 | 141.4° | 7.3° |
| C35 | C36 | C37 | H37 | 179.8° | 180.0° |
| C36 | C35 | C40 | H40 | 179.7° | 179.7° |
| C40 | C35 | C36 | C37 | 0.2° | 0.2° |
| C35 | C40 | C39 | C38 | 0.3° | 0.4° |
| C35 | C40 | C39 | H40 | 180.0° | 179.9° |
| C40 | C35 | C28 | H28 | 39.0° | 172.9° |
| C40 | C35 | C36 | H36 | 179.8° | 179.8° |
| C35 | C40 | C39 | H39 | 179.7° | 179.7° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.0° |
| C36 | C37 | C38 | H38 | 179.8° | 180.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.2° | 0.2° |
| C38 | C37 | C36 | H36 | 179.8° | 180.0° |
| C37 | C38 | C39 | H39 | 179.8° | 180.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
| C39 | C38 | C37 | H37 | 179.8° | 180.0° |
| C38 | C39 | C40 | H40 | 179.7° | 179.7° |
| C40 | C39 | C38 | H38 | 179.7° | 179.8° |
| H3 | C3 | N2 | HN2 | 174.2° | 88.9° |
| H3 | C3 | C4 | H4 | 26.7° | 180.0° |
| H3 | C3 | C4 | H4A | 146.7° | 60.0° |
| H3 | C3 | C4 | H4B | 93.2° | 60.0° |
| HN2 | N2 | C1 | H1 | 24.7° | 56.1° |
| HN2 | N2 | C1 | H1A | 95.3° | 176.1° |
| HN2 | N2 | C1 | H1B | 144.7° | 63.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| HN7 | N7 | C8 | H8 | 164.4° | 145.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.1° |
| H11 | C11 | H11A | H11B | 120.0° | 119.9° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 13.1° | 20.6° |
| H16 | C16 | C22 | H22 | 80.6° | 120.2° |
| H19 | C19 | C18 | H18 | 35.1° | 37.5° |
| H19 | C19 | C18 | H18A | 82.8° | 86.1° |
| H19A | C19 | C18 | H18 | 152.7° | 159.9° |
| H19A | C19 | C18 | H18A | 34.8° | 36.3° |
| H18 | C18 | C17 | H17 | 36.6° | 38.2° |
| H18A | C18 | C17 | H17 | 81.3° | 85.4° |
| H17 | C17 | C20 | H20 | 18.1° | 32.1° |
| H17 | C17 | C20 | H20A | 100.7° | 155.4° |
| H20 | C20 | C21 | H21 | 32.7° | 37.7° |
| H20 | C20 | C21 | H21A | 150.7° | 85.0° |
| H20A | C20 | C21 | H21 | 86.0° | 161.0° |
| H20A | C20 | C21 | H21A | 32.0° | 38.4° |
| H21 | C21 | C22 | H22 | 78.5° | 146.1° |
| H21A | C21 | C22 | H22 | 39.5° | 23.4° |
| H22 | C22 | N25 | HN25 | 172.3° | 146.4° |
| H30 | C30 | C31 | H31 | 0.2° | 0.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
| H36 | C36 | C37 | H37 | 0.2° | 0.1° |
| H37 | C37 | C38 | H38 | 0.2° | 0.0° |
| H38 | C38 | C39 | H39 | 0.2° | 0.0° |
| H39 | C39 | C40 | H40 | 0.3° | 0.1° |
