A1C2K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C32 | O33 | sing | 1.45Å | 1.45Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| O33 | P2 | sing | 1.64Å | 1.60Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| N3 | P2 | sing | 1.68Å | 1.61Å | |
| C30 | N22 | sing | 1.48Å | 1.47Å | |
| C4 | C9 | sing | 1.51Å | 1.53Å | |
| P2 | N22 | sing | 1.70Å | 1.63Å | |
| P2 | O1 | doub | 1.48Å | 1.47Å | |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C9 | O21 | doub | 1.21Å | 1.23Å | |
| C9 | N10 | sing | 1.35Å | 1.34Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| N10 | C11 | sing | 1.46Å | 1.46Å | |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.55Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C14 | O18 | doub | 1.21Å | 1.22Å | |
| C14 | N15 | sing | 1.34Å | 1.33Å | |
| C16 | N15 | sing | 1.47Å | 1.45Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| N3 | H36 | sing | 1.01Å | 1.00Å | |
| O20 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C6 | C7 | 111.0° | 109.5° |
| C8 | C6 | C5 | 112.3° | 109.4° |
| C8 | C6 | H4 | 107.5° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H9 | 109.5° | 109.5° |
| C6 | C8 | H10 | 109.5° | 109.4° |
| C7 | C6 | C5 | 110.5° | 109.5° |
| C7 | C6 | H4 | 107.6° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C6 | C5 | C4 | 113.6° | 109.5° |
| C6 | C5 | H2 | 108.4° | 109.4° |
| C6 | C5 | H3 | 108.4° | 109.5° |
| C5 | C6 | H4 | 107.6° | 109.5° |
| C5 | C4 | N3 | 108.5° | 109.5° |
| C5 | C4 | C9 | 112.2° | 109.5° |
| C5 | C4 | H1 | 108.5° | 109.5° |
| C4 | C5 | H2 | 108.5° | 109.4° |
| C4 | C5 | H3 | 108.5° | 109.5° |
| O33 | C32 | C30 | 110.7° | 108.9° |
| C32 | O33 | P2 | 111.9° | 101.7° |
| O33 | C32 | H33 | 109.2° | 109.6° |
| O33 | C32 | H34 | 109.2° | 109.6° |
| C32 | C30 | C31 | 113.4° | 109.4° |
| C32 | C30 | N22 | 104.3° | 109.5° |
| C32 | C30 | H29 | 108.6° | 109.5° |
| C30 | C32 | H33 | 109.2° | 109.6° |
| C30 | C32 | H34 | 109.2° | 109.6° |
| C31 | C30 | N22 | 112.6° | 109.5° |
| C31 | C30 | H29 | 108.5° | 109.4° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H32 | 109.5° | 109.5° |
| O33 | P2 | N3 | 107.2° | 111.0° |
| O33 | P2 | N22 | 97.4° | 101.5° |
| O33 | P2 | O1 | 114.6° | 111.0° |
| C4 | N3 | P2 | 123.8° | 111.0° |
| N3 | C4 | C9 | 109.8° | 109.5° |
| N3 | C4 | H1 | 109.3° | 109.5° |
| C4 | N3 | H36 | 105.8° | 111.0° |
| N3 | P2 | N22 | 110.1° | 111.0° |
| N3 | P2 | O1 | 108.6° | 110.9° |
| P2 | N3 | H36 | 105.8° | 111.0° |
| C30 | N22 | P2 | 113.3° | 103.2° |
| C30 | N22 | C23 | 122.8° | 111.0° |
| N22 | C30 | H29 | 109.3° | 109.5° |
| C4 | C9 | O21 | 120.8° | 120.0° |
| C4 | C9 | N10 | 116.0° | 120.0° |
| C9 | C4 | H1 | 108.5° | 109.5° |
| N22 | P2 | O1 | 118.1° | 111.1° |
| P2 | N22 | C23 | 123.1° | 111.0° |
| N22 | C23 | C24 | 115.1° | 109.5° |
| N22 | C23 | H22 | 108.1° | 109.5° |
| N22 | C23 | H23 | 108.0° | 109.5° |
| O21 | C9 | N10 | 123.2° | 120.0° |
| C9 | N10 | C11 | 123.1° | 120.0° |
| C9 | N10 | H35 | 118.5° | 119.9° |
| C23 | C24 | C29 | 121.2° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C24 | C23 | H22 | 108.1° | 109.5° |
| C24 | C23 | H23 | 108.1° | 109.5° |
| N10 | C11 | C19 | 109.5° | 109.5° |
| N10 | C11 | C12 | 110.0° | 109.4° |
| N10 | C11 | H11 | 108.3° | 109.5° |
| C11 | N10 | H35 | 118.5° | 120.1° |
| C29 | C24 | C25 | 118.6° | 120.0° |
| C24 | C29 | C28 | 120.6° | 119.9° |
| C24 | C29 | H28 | 119.7° | 120.0° |
| C24 | C25 | C26 | 120.7° | 120.0° |
| C24 | C25 | H24 | 119.6° | 120.0° |
| C29 | C28 | C27 | 120.3° | 120.0° |
| C29 | C28 | H27 | 119.9° | 119.9° |
| C28 | C29 | H28 | 119.7° | 120.1° |
| C19 | C11 | C12 | 113.8° | 109.5° |
| C11 | C19 | O20 | 111.1° | 109.4° |
| C19 | C11 | H11 | 107.6° | 109.5° |
| C11 | C19 | H20 | 109.1° | 109.4° |
| C11 | C19 | H21 | 109.1° | 109.5° |
| C11 | C12 | C13 | 114.6° | 109.5° |
| C12 | C11 | H11 | 107.5° | 109.5° |
| C11 | C12 | H12 | 108.2° | 109.5° |
| C11 | C12 | H13 | 108.2° | 109.4° |
| O20 | C19 | H20 | 109.1° | 109.5° |
| O20 | C19 | H21 | 109.1° | 109.5° |
| C19 | O20 | H37 | 109.5° | 113.9° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | H24 | 119.7° | 120.0° |
| C25 | C26 | H25 | 119.9° | 120.0° |
| C28 | C27 | C26 | 119.6° | 120.0° |
| C28 | C27 | H26 | 120.2° | 120.0° |
| C27 | C28 | H27 | 119.8° | 120.0° |
| C12 | C13 | C17 | 115.4° | 110.5° |
| C12 | C13 | C14 | 111.8° | 110.5° |
| C13 | C12 | H12 | 108.1° | 109.5° |
| C13 | C12 | H13 | 108.2° | 109.5° |
| C12 | C13 | H14 | 108.6° | 110.5° |
| C17 | C13 | C14 | 103.5° | 104.2° |
| C13 | C17 | C16 | 104.3° | 101.8° |
| C17 | C13 | H14 | 108.4° | 110.5° |
| C13 | C17 | H18 | 110.7° | 111.0° |
| C13 | C17 | H19 | 110.7° | 110.9° |
| C13 | C14 | O18 | 125.5° | 124.9° |
| C13 | C14 | N15 | 108.5° | 110.1° |
| C14 | C13 | H14 | 108.9° | 110.6° |
| C27 | C26 | H25 | 119.9° | 120.0° |
| C26 | C27 | H26 | 120.2° | 120.0° |
| C17 | C16 | N15 | 102.3° | 105.5° |
| C17 | C16 | H16 | 111.2° | 110.3° |
| C17 | C16 | H17 | 111.2° | 110.3° |
| C16 | C17 | H18 | 110.7° | 111.0° |
| C16 | C17 | H19 | 110.7° | 111.0° |
| O18 | C14 | N15 | 126.1° | 124.9° |
| C14 | N15 | C16 | 114.2° | 111.3° |
| C14 | N15 | H15 | 122.9° | 124.4° |
| C16 | N15 | H15 | 122.9° | 124.4° |
| N15 | C16 | H16 | 111.2° | 110.2° |
| N15 | C16 | H17 | 111.2° | 110.2° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.4° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.6° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 110.2° |
| H18 | C17 | H19 | 109.5° | 110.9° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.4° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| H30 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C6 | C7 | C5 | 125.3° | 120.0° |
| C8 | C6 | C7 | H4 | 117.4° | 120.0° |
| C8 | C6 | C5 | H4 | 118.2° | 119.9° |
| C8 | C6 | C5 | C4 | 174.3° | 174.0° |
| C8 | C6 | C5 | H2 | 65.0° | 66.0° |
| C8 | C6 | C5 | H3 | 53.7° | 54.0° |
| C8 | C6 | C7 | H5 | 180.0° | 63.6° |
| C8 | C6 | C7 | H6 | 60.0° | 176.3° |
| C8 | C6 | C7 | H7 | 60.0° | 56.4° |
| C6 | C8 | H8 | H9 | 120.0° | 120.0° |
| C6 | C8 | H8 | H10 | 120.0° | 119.9° |
| C6 | C8 | H9 | H10 | 120.0° | 119.9° |
| C7 | C6 | C5 | H4 | 117.3° | 120.0° |
| C7 | C6 | C5 | C4 | 61.1° | 65.9° |
| C7 | C6 | C5 | H2 | 59.5° | 54.0° |
| C7 | C6 | C5 | H3 | 178.3° | 174.0° |
| C6 | C7 | H5 | H6 | 120.0° | 120.1° |
| C6 | C7 | H5 | H7 | 120.0° | 120.0° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C6 | C8 | H8 | 180.0° | 60.0° |
| C7 | C6 | C8 | H9 | 60.0° | 180.0° |
| C7 | C6 | C8 | H10 | 60.0° | 60.0° |
| C6 | C5 | C4 | H2 | 120.6° | 119.9° |
| C6 | C5 | C4 | H3 | 120.6° | 120.0° |
| C6 | C5 | C4 | N3 | 58.6° | 173.4° |
| C6 | C5 | C4 | C9 | 179.9° | 66.6° |
| C6 | C5 | C4 | H1 | 60.1° | 53.4° |
| C6 | C5 | H2 | H3 | 118.1° | 120.0° |
| C5 | C6 | C7 | H5 | 54.7° | 176.4° |
| C5 | C6 | C7 | H6 | 174.7° | 56.4° |
| C5 | C6 | C7 | H7 | 65.3° | 63.6° |
| C5 | C6 | C8 | H8 | 55.7° | 60.1° |
| C5 | C6 | C8 | H9 | 64.3° | 60.0° |
| C5 | C6 | C8 | H10 | 175.7° | 180.0° |
| C5 | C4 | N3 | C9 | 122.9° | 120.0° |
| C5 | C4 | N3 | H1 | 118.1° | 120.0° |
| C5 | C4 | N3 | P2 | 167.4° | 95.5° |
| C5 | C4 | C9 | H1 | 119.8° | 120.0° |
| C5 | C4 | C9 | O21 | 87.4° | 98.2° |
| C5 | C4 | C9 | N10 | 94.0° | 81.7° |
| C4 | C5 | H2 | H3 | 118.2° | 120.0° |
| C4 | C5 | C6 | H4 | 56.2° | 54.1° |
| C5 | C4 | N3 | H36 | 70.7° | 140.5° |
| O33 | C32 | C30 | H33 | 120.2° | 119.9° |
| O33 | C32 | C30 | H34 | 120.2° | 120.0° |
| O33 | C32 | C30 | C31 | 137.9° | 91.4° |
| C32 | O33 | P2 | N3 | 114.4° | 152.9° |
| O33 | C32 | C30 | N22 | 15.1° | 28.6° |
| C32 | O33 | P2 | N22 | 0.6° | 34.9° |
| C32 | O33 | P2 | O1 | 125.0° | 83.3° |
| O33 | C32 | C30 | H29 | 101.3° | 148.7° |
| O33 | C32 | H33 | H34 | 119.5° | 120.3° |
| C32 | C30 | C31 | N22 | 118.2° | 120.0° |
| C32 | C30 | C31 | H29 | 120.7° | 120.0° |
| C30 | C32 | O33 | P2 | 8.9° | 39.4° |
| C32 | C30 | N22 | H29 | 115.9° | 120.1° |
| C32 | C30 | N22 | P2 | 15.9° | 3.5° |
| C32 | C30 | N22 | C23 | 174.5° | 115.4° |
| C32 | C30 | C31 | H30 | 180.0° | 59.9° |
| C32 | C30 | C31 | H31 | 60.0° | 60.0° |
| C32 | C30 | C31 | H32 | 60.0° | 180.0° |
| C30 | C32 | H33 | H34 | 119.5° | 120.3° |
| C31 | C30 | N22 | H29 | 120.7° | 120.0° |
| C31 | C30 | N22 | P2 | 139.3° | 116.4° |
| C31 | C30 | N22 | C23 | 51.2° | 124.7° |
| C30 | C31 | H30 | H31 | 120.0° | 120.0° |
| C30 | C31 | H30 | H32 | 120.0° | 120.1° |
| C30 | C31 | H31 | H32 | 120.0° | 120.0° |
| C31 | C30 | C32 | H33 | 17.7° | 148.7° |
| C31 | C30 | C32 | H34 | 101.9° | 28.6° |
| O33 | P2 | N3 | C4 | 119.9° | 55.1° |
| O33 | P2 | N3 | N22 | 104.9° | 112.1° |
| O33 | P2 | N3 | O1 | 124.3° | 123.9° |
| O33 | P2 | N22 | C30 | 10.5° | 18.6° |
| O33 | P2 | N22 | O1 | 123.1° | 118.1° |
| O33 | P2 | N22 | C23 | 179.9° | 137.6° |
| P2 | O33 | C32 | H33 | 111.3° | 80.4° |
| P2 | O33 | C32 | H34 | 129.1° | 159.4° |
| O33 | P2 | N3 | H36 | 118.1° | 179.0° |
| C4 | N3 | P2 | H36 | 121.9° | 124.0° |
| N3 | C4 | C9 | H1 | 119.5° | 120.0° |
| C4 | N3 | P2 | N22 | 135.2° | 167.2° |
| C4 | N3 | P2 | O1 | 4.4° | 68.9° |
| N3 | C4 | C9 | O21 | 33.3° | 21.8° |
| N3 | C4 | C9 | N10 | 145.3° | 158.3° |
| N3 | C4 | C5 | H2 | 179.2° | 53.5° |
| N3 | C4 | C5 | H3 | 62.0° | 66.6° |
| N3 | P2 | N22 | C30 | 121.9° | 136.7° |
| P2 | N3 | C4 | C9 | 69.7° | 144.5° |
| N3 | P2 | N22 | O1 | 125.5° | 123.9° |
| N3 | P2 | N22 | C23 | 68.5° | 104.4° |
| P2 | N3 | C4 | H1 | 49.2° | 24.5° |
| C30 | N22 | P2 | C23 | 169.5° | 119.0° |
| C30 | N22 | P2 | O1 | 112.5° | 99.5° |
| C30 | N22 | C23 | C24 | 65.6° | 165.0° |
| C30 | N22 | C23 | H22 | 173.6° | 74.9° |
| C30 | N22 | C23 | H23 | 55.3° | 45.0° |
| N22 | C30 | C31 | H30 | 61.8° | 60.0° |
| N22 | C30 | C31 | H31 | 58.1° | 180.0° |
| N22 | C30 | C31 | H32 | 178.1° | 60.0° |
| N22 | C30 | C32 | H33 | 105.1° | 91.3° |
| N22 | C30 | C32 | H34 | 135.3° | 148.5° |
| C4 | C9 | O21 | N10 | 178.4° | 179.9° |
| C4 | C9 | N10 | C11 | 176.9° | 175.3° |
| C9 | C4 | C5 | H2 | 59.3° | 173.5° |
| C9 | C4 | C5 | H3 | 59.4° | 53.4° |
| C4 | C9 | N10 | H35 | 3.1° | 4.7° |
| C9 | C4 | N3 | H36 | 52.2° | 20.5° |
| P2 | N22 | C23 | C24 | 103.0° | 80.8° |
| P2 | N22 | C23 | H22 | 17.9° | 39.2° |
| P2 | N22 | C23 | H23 | 136.2° | 159.2° |
| P2 | N22 | C30 | H29 | 100.0° | 123.6° |
| N22 | P2 | N3 | H36 | 13.2° | 68.9° |
| O1 | P2 | N22 | C23 | 57.0° | 19.5° |
| O1 | P2 | N3 | H36 | 117.6° | 55.1° |
| N22 | C23 | C24 | H22 | 120.8° | 120.1° |
| N22 | C23 | C24 | H23 | 120.8° | 120.0° |
| N22 | C23 | C24 | C29 | 3.3° | 90.0° |
| N22 | C23 | C24 | C25 | 176.1° | 89.8° |
| N22 | C23 | H22 | H23 | 117.4° | 120.0° |
| C23 | N22 | C30 | H29 | 69.5° | 4.7° |
| O21 | C9 | N10 | C11 | 4.6° | 4.8° |
| O21 | C9 | C4 | H1 | 152.7° | 141.8° |
| O21 | C9 | N10 | H35 | 175.4° | 175.2° |
| C9 | N10 | C11 | H35 | 180.0° | 180.0° |
| C9 | N10 | C11 | C19 | 121.5° | 82.0° |
| C9 | N10 | C11 | C12 | 112.8° | 158.0° |
| N10 | C9 | C4 | H1 | 25.8° | 38.3° |
| C9 | N10 | C11 | H11 | 4.5° | 38.0° |
| C23 | C24 | C29 | C25 | 179.4° | 179.8° |
| C23 | C24 | C29 | C28 | 179.2° | 179.8° |
| C23 | C24 | C25 | C26 | 179.2° | 180.0° |
| C24 | C23 | H22 | H23 | 117.4° | 120.0° |
| C23 | C24 | C25 | H24 | 0.8° | 0.0° |
| C23 | C24 | C29 | H28 | 0.8° | 0.0° |
| N10 | C11 | C19 | C12 | 123.5° | 120.0° |
| N10 | C11 | C19 | H11 | 117.5° | 120.0° |
| N10 | C11 | C12 | H11 | 117.8° | 120.0° |
| N10 | C11 | C19 | O20 | 173.9° | 65.0° |
| N10 | C11 | C12 | C13 | 65.5° | 63.8° |
| N10 | C11 | C12 | H12 | 55.2° | 56.2° |
| N10 | C11 | C12 | H13 | 173.7° | 176.2° |
| N10 | C11 | C19 | H20 | 65.8° | 55.0° |
| N10 | C11 | C19 | H21 | 53.7° | 175.0° |
| C24 | C29 | C28 | H28 | 180.0° | 179.8° |
| C29 | C24 | C25 | C26 | 0.2° | 0.3° |
| C24 | C29 | C28 | C27 | 0.1° | 0.4° |
| C29 | C24 | C23 | H22 | 117.6° | 149.9° |
| C29 | C24 | C23 | H23 | 124.1° | 30.0° |
| C29 | C24 | C25 | H24 | 179.8° | 179.8° |
| C24 | C29 | C28 | H27 | 179.9° | 179.7° |
| C25 | C24 | C29 | C28 | 0.2° | 0.4° |
| C24 | C25 | C26 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C25 | C24 | C23 | H22 | 63.0° | 30.3° |
| C25 | C24 | C23 | H23 | 55.3° | 150.3° |
| C24 | C25 | C26 | H25 | 179.8° | 180.0° |
| C25 | C24 | C29 | H28 | 179.8° | 179.7° |
| C29 | C28 | C27 | H27 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C29 | C28 | C27 | H26 | 179.9° | 179.8° |
| C19 | C11 | C12 | H11 | 119.0° | 120.0° |
| C11 | C19 | O20 | H20 | 120.2° | 119.9° |
| C11 | C19 | O20 | H21 | 120.3° | 120.0° |
| C19 | C11 | C12 | C13 | 171.3° | 176.2° |
| C19 | C11 | C12 | H12 | 68.0° | 63.8° |
| C19 | C11 | C12 | H13 | 50.5° | 56.1° |
| C11 | C19 | H20 | H21 | 119.3° | 120.0° |
| C19 | C11 | N10 | H35 | 58.5° | 98.0° |
| C11 | C19 | O20 | H37 | 180.0° | 180.0° |
| C12 | C11 | C19 | O20 | 62.5° | 55.0° |
| C11 | C12 | C13 | H12 | 120.7° | 120.0° |
| C11 | C12 | C13 | H13 | 120.8° | 120.0° |
| C11 | C12 | C13 | C17 | 62.1° | 65.2° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C11 | C12 | H12 | H13 | 117.6° | 120.0° |
| C11 | C12 | C13 | H14 | 59.9° | 57.3° |
| C12 | C11 | C19 | H20 | 57.7° | 175.0° |
| C12 | C11 | C19 | H21 | 177.2° | 65.0° |
| C12 | C11 | N10 | H35 | 67.2° | 22.0° |
| O20 | C19 | C11 | H11 | 56.4° | 175.0° |
| O20 | C19 | H20 | H21 | 119.3° | 120.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | H25 | 180.0° | 180.0° |
| C25 | C26 | C27 | H26 | 179.9° | 180.0° |
| C28 | C27 | C26 | H26 | 180.0° | 179.9° |
| C28 | C27 | C26 | H25 | 179.9° | 180.0° |
| C27 | C28 | C29 | H28 | 179.8° | 179.8° |
| C12 | C13 | C17 | C14 | 122.4° | 118.6° |
| C12 | C13 | C17 | H14 | 122.0° | 122.6° |
| C12 | C13 | C14 | H14 | 120.0° | 122.6° |
| C12 | C13 | C17 | C16 | 141.5° | 143.5° |
| C12 | C13 | C14 | O18 | 52.2° | 45.1° |
| C12 | C13 | C14 | N15 | 129.4° | 134.9° |
| C13 | C12 | C11 | H11 | 52.3° | 56.2° |
| C13 | C12 | H12 | H13 | 117.7° | 120.0° |
| C12 | C13 | C17 | H18 | 22.3° | 25.3° |
| C12 | C13 | C17 | H19 | 99.3° | 98.4° |
| C17 | C13 | C14 | H14 | 115.2° | 118.7° |
| C13 | C17 | C16 | H18 | 119.2° | 118.2° |
| C13 | C17 | C16 | H19 | 119.2° | 118.1° |
| C17 | C13 | C14 | O18 | 177.0° | 163.7° |
| C17 | C13 | C14 | N15 | 4.6° | 16.2° |
| C13 | C17 | C16 | N15 | 25.8° | 25.5° |
| C17 | C13 | C12 | H12 | 177.2° | 174.8° |
| C17 | C13 | C12 | H13 | 58.7° | 54.7° |
| C13 | C17 | C16 | H16 | 144.6° | 93.5° |
| C13 | C17 | C16 | H17 | 93.1° | 144.5° |
| C13 | C17 | H18 | H19 | 122.4° | 123.7° |
| C14 | C13 | C17 | C16 | 19.1° | 24.8° |
| C13 | C14 | O18 | N15 | 178.0° | 180.0° |
| C13 | C14 | N15 | C16 | 13.3° | 0.4° |
| C14 | C13 | C12 | H12 | 59.2° | 60.0° |
| C14 | C13 | C12 | H13 | 59.2° | 60.0° |
| C13 | C14 | N15 | H15 | 166.7° | 179.7° |
| C14 | C13 | C17 | H18 | 100.1° | 93.4° |
| C14 | C13 | C17 | H19 | 138.2° | 142.9° |
| C27 | C26 | C25 | H24 | 179.8° | 180.0° |
| C26 | C27 | C28 | H27 | 179.9° | 180.0° |
| C17 | C16 | N15 | C14 | 25.3° | 17.1° |
| C17 | C16 | N15 | H16 | 118.8° | 119.0° |
| C17 | C16 | N15 | H17 | 118.8° | 119.1° |
| C16 | C17 | C13 | H14 | 96.4° | 94.0° |
| C17 | C16 | N15 | H15 | 154.7° | 163.0° |
| C17 | C16 | H16 | H17 | 123.3° | 122.0° |
| C16 | C17 | H18 | H19 | 122.4° | 123.8° |
| O18 | C14 | N15 | C16 | 165.0° | 179.6° |
| O18 | C14 | C13 | H14 | 67.7° | 77.5° |
| O18 | C14 | N15 | H15 | 14.9° | 0.3° |
| C14 | N15 | C16 | H15 | 180.0° | 179.9° |
| N15 | C14 | C13 | H14 | 110.6° | 102.5° |
| C14 | N15 | C16 | H16 | 144.2° | 101.9° |
| C14 | N15 | C16 | H17 | 93.5° | 136.2° |
| N15 | C16 | H16 | H17 | 123.3° | 121.9° |
| N15 | C16 | C17 | H18 | 93.4° | 92.7° |
| N15 | C16 | C17 | H19 | 145.0° | 143.5° |
| H1 | C4 | C5 | H2 | 60.5° | 66.5° |
| H1 | C4 | C5 | H3 | 179.3° | 173.4° |
| H1 | C4 | N3 | H36 | 171.2° | 99.5° |
| H2 | C5 | C6 | H4 | 176.8° | 174.0° |
| H3 | C5 | C6 | H4 | 64.5° | 65.9° |
| H4 | C6 | C7 | H5 | 62.6° | 56.4° |
| H4 | C6 | C7 | H6 | 57.4° | 63.7° |
| H4 | C6 | C7 | H7 | 177.4° | 176.4° |
| H4 | C6 | C8 | H8 | 62.5° | 180.0° |
| H4 | C6 | C8 | H9 | 177.5° | 59.9° |
| H4 | C6 | C8 | H10 | 57.5° | 60.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.1° |
| H11 | C11 | C12 | H12 | 173.0° | 176.2° |
| H11 | C11 | C12 | H13 | 68.5° | 63.9° |
| H11 | C11 | C19 | H20 | 176.7° | 65.0° |
| H11 | C11 | C19 | H21 | 63.8° | 55.0° |
| H11 | C11 | N10 | H35 | 175.6° | 142.0° |
| H12 | C12 | C13 | H14 | 60.9° | 62.7° |
| H13 | C12 | C13 | H14 | 179.4° | 177.3° |
| H14 | C13 | C17 | H18 | 144.4° | 147.8° |
| H14 | C13 | C17 | H19 | 22.7° | 24.2° |
| H15 | N15 | C16 | H16 | 35.8° | 77.9° |
| H15 | N15 | C16 | H17 | 86.5° | 44.0° |
| H16 | C16 | C17 | H18 | 25.5° | 148.3° |
| H16 | C16 | C17 | H19 | 96.2° | 24.5° |
| H17 | C16 | C17 | H18 | 147.8° | 26.3° |
| H17 | C16 | C17 | H19 | 26.1° | 97.4° |
| H20 | C19 | O20 | H37 | 59.8° | 60.1° |
| H21 | C19 | O20 | H37 | 59.7° | 60.0° |
| H24 | C25 | C26 | H25 | 0.2° | 0.0° |
| H25 | C26 | C27 | H26 | 0.2° | 0.0° |
| H26 | C27 | C28 | H27 | 0.1° | 0.1° |
| H27 | C28 | C29 | H28 | 0.2° | 0.1° |
| H29 | C30 | C31 | H30 | 59.3° | 180.0° |
| H29 | C30 | C31 | H31 | 179.2° | 60.0° |
| H29 | C30 | C31 | H32 | 60.8° | 60.0° |
| H29 | C30 | C32 | H33 | 138.5° | 28.7° |
| H29 | C30 | C32 | H34 | 18.8° | 91.4° |
| H30 | C31 | H31 | H32 | 120.0° | 120.0° |
