A1C2W
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 | 1.51Å | |
| 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 | |
| O33 | P2 | sing | 1.64Å | 1.60Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | N22 | sing | 1.48Å | 1.47Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| N3 | P2 | sing | 1.68Å | 1.61Å | |
| C4 | C9 | sing | 1.51Å | 1.53Å | |
| P2 | N22 | sing | 1.71Å | 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 | 1.50Å | |
| N10 | C11 | sing | 1.46Å | 1.46Å | |
| O20 | C19 | sing | 1.43Å | 1.41Å | |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | 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 | |
| C16 | N15 | sing | 1.47Å | 1.45Å | |
| C14 | O18 | doub | 1.21Å | 1.23Å | |
| C14 | N15 | sing | 1.34Å | 1.33Å | |
| C25 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å | |
| N15 | 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 | 110.5° | 109.5° |
| C8 | C6 | C5 | 111.5° | 109.5° |
| C8 | C6 | H14 | 108.1° | 109.5° |
| C6 | C8 | H31 | 109.5° | 109.5° |
| C6 | C8 | H32 | 109.4° | 109.4° |
| C6 | C8 | H33 | 109.5° | 109.5° |
| C7 | C6 | C5 | 110.2° | 109.5° |
| C6 | C7 | H2 | 109.5° | 109.5° |
| C6 | C7 | H3 | 109.5° | 109.5° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| C7 | C6 | H14 | 108.3° | 109.5° |
| C6 | C5 | C4 | 114.8° | 109.5° |
| C5 | C6 | H14 | 108.1° | 109.5° |
| C6 | C5 | H29 | 108.1° | 109.5° |
| C6 | C5 | H30 | 108.1° | 109.5° |
| C5 | C4 | N3 | 109.5° | 109.5° |
| C5 | C4 | C9 | 111.2° | 109.5° |
| C5 | C4 | H13 | 108.0° | 109.5° |
| C4 | C5 | H29 | 108.1° | 109.5° |
| C4 | C5 | H30 | 108.1° | 109.5° |
| O33 | C32 | C30 | 105.0° | 108.9° |
| C32 | O33 | P2 | 111.7° | 101.7° |
| O33 | C32 | H18 | 110.6° | 109.6° |
| O33 | C32 | H19 | 110.6° | 109.6° |
| C32 | C30 | C31 | 114.1° | 109.5° |
| C32 | C30 | N22 | 102.8° | 109.5° |
| C32 | C30 | H17 | 108.7° | 109.4° |
| C30 | C32 | H18 | 110.6° | 109.7° |
| C30 | C32 | H19 | 110.6° | 109.7° |
| O33 | P2 | N3 | 109.0° | 111.0° |
| O33 | P2 | N22 | 96.3° | 101.4° |
| O33 | P2 | O1 | 115.0° | 111.0° |
| C31 | C30 | N22 | 112.8° | 109.5° |
| C30 | C31 | H8 | 109.5° | 109.4° |
| C30 | C31 | H9 | 109.5° | 109.5° |
| C30 | C31 | H10 | 109.5° | 109.4° |
| C31 | C30 | H17 | 108.8° | 109.5° |
| C30 | N22 | P2 | 106.9° | 103.3° |
| C30 | N22 | C23 | 122.1° | 111.0° |
| N22 | C30 | H17 | 109.4° | 109.5° |
| C4 | N3 | P2 | 124.4° | 111.0° |
| N3 | C4 | C9 | 111.2° | 109.4° |
| N3 | C4 | H13 | 108.7° | 109.5° |
| C4 | N3 | H36 | 105.6° | 111.0° |
| N3 | P2 | N22 | 109.6° | 111.0° |
| N3 | P2 | O1 | 108.7° | 110.9° |
| P2 | N3 | H36 | 105.6° | 111.0° |
| C4 | C9 | O21 | 120.6° | 120.1° |
| C4 | C9 | N10 | 116.5° | 120.0° |
| C9 | C4 | H13 | 108.1° | 109.4° |
| N22 | P2 | O1 | 117.5° | 111.1° |
| P2 | N22 | C23 | 121.2° | 111.0° |
| N22 | C23 | C24 | 113.7° | 109.5° |
| N22 | C23 | H11 | 108.4° | 109.5° |
| N22 | C23 | H12 | 108.4° | 109.4° |
| O21 | C9 | N10 | 122.9° | 120.0° |
| C9 | N10 | C11 | 123.0° | 120.0° |
| C9 | N10 | H34 | 118.5° | 120.0° |
| C23 | C24 | C29 | 120.8° | 120.0° |
| C23 | C24 | C25 | 121.5° | 120.0° |
| C24 | C23 | H11 | 108.4° | 109.5° |
| C24 | C23 | H12 | 108.4° | 109.5° |
| N10 | C11 | C19 | 109.6° | 109.5° |
| N10 | C11 | C12 | 109.8° | 109.5° |
| N10 | C11 | H26 | 108.8° | 109.5° |
| C11 | N10 | H34 | 118.5° | 120.0° |
| O20 | C19 | C11 | 111.3° | 109.5° |
| O20 | C19 | H24 | 109.0° | 109.5° |
| O20 | C19 | H25 | 109.0° | 109.4° |
| C19 | O20 | H37 | 109.5° | 114.0° |
| C29 | C24 | C25 | 117.7° | 120.0° |
| C24 | C29 | C28 | 121.3° | 120.0° |
| C24 | C29 | H16 | 119.4° | 120.0° |
| C24 | C25 | C26 | 121.2° | 120.0° |
| C24 | C25 | H1 | 119.4° | 120.0° |
| C29 | C28 | C27 | 120.0° | 120.0° |
| C29 | C28 | H15 | 120.0° | 120.0° |
| C28 | C29 | H16 | 119.4° | 120.0° |
| C19 | C11 | C12 | 112.4° | 109.5° |
| C11 | C19 | H24 | 109.0° | 109.5° |
| C11 | C19 | H25 | 109.0° | 109.5° |
| C19 | C11 | H26 | 108.1° | 109.5° |
| C11 | C12 | C13 | 112.0° | 109.5° |
| C11 | C12 | H6 | 108.8° | 109.5° |
| C11 | C12 | H7 | 108.8° | 109.5° |
| C12 | C11 | H26 | 108.0° | 109.5° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C26 | C25 | H1 | 119.4° | 120.0° |
| C25 | C26 | H27 | 120.0° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C27 | C28 | H15 | 120.0° | 120.0° |
| C28 | C27 | H28 | 120.1° | 120.0° |
| C12 | C13 | C17 | 115.1° | 110.5° |
| C12 | C13 | C14 | 111.9° | 110.5° |
| C12 | C13 | H5 | 108.7° | 110.5° |
| C13 | C12 | H6 | 108.9° | 109.4° |
| C13 | C12 | H7 | 108.9° | 109.5° |
| C17 | C13 | C14 | 103.6° | 104.2° |
| C13 | C17 | C16 | 104.4° | 101.8° |
| C17 | C13 | H5 | 108.5° | 110.5° |
| C13 | C17 | H22 | 110.7° | 111.0° |
| C13 | C17 | H23 | 110.7° | 111.0° |
| C13 | C14 | O18 | 125.6° | 124.9° |
| C13 | C14 | N15 | 108.2° | 110.1° |
| C14 | C13 | H5 | 108.9° | 110.5° |
| C27 | C26 | H27 | 120.0° | 120.0° |
| C26 | C27 | H28 | 120.1° | 120.0° |
| C17 | C16 | N15 | 102.1° | 105.5° |
| C17 | C16 | H20 | 111.3° | 110.3° |
| C17 | C16 | H21 | 111.3° | 110.4° |
| C16 | C17 | H22 | 110.7° | 111.0° |
| C16 | C17 | H23 | 110.7° | 111.0° |
| C16 | N15 | C14 | 114.1° | 111.3° |
| N15 | C16 | H20 | 111.3° | 110.2° |
| N15 | C16 | H21 | 111.3° | 110.2° |
| C16 | N15 | H35 | 122.9° | 124.4° |
| O18 | C14 | N15 | 126.2° | 125.0° |
| C14 | N15 | H35 | 123.0° | 124.3° |
| H2 | C7 | H3 | 109.4° | 109.4° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C31 | H9 | 109.5° | 109.5° |
| H8 | C31 | H10 | 109.5° | 109.5° |
| H9 | C31 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.4° |
| H18 | C32 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.4° | 110.2° |
| H22 | C17 | H23 | 109.5° | 110.8° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H29 | C5 | H30 | 109.5° | 109.4° |
| H31 | C8 | H32 | 109.5° | 109.5° |
| H31 | C8 | H33 | 109.5° | 109.5° |
| H32 | C8 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C6 | C7 | C5 | 123.8° | 120.0° |
| C8 | C6 | C7 | H14 | 118.2° | 120.0° |
| C8 | C6 | C5 | H14 | 118.7° | 120.0° |
| C8 | C6 | C5 | C4 | 166.7° | 172.7° |
| C8 | C6 | C7 | H2 | 180.0° | 60.0° |
| C8 | C6 | C7 | H3 | 60.0° | 60.0° |
| C8 | C6 | C7 | H4 | 60.0° | 180.0° |
| C8 | C6 | C5 | H29 | 72.5° | 52.7° |
| C8 | C6 | C5 | H30 | 45.9° | 67.2° |
| C6 | C8 | H31 | H32 | 120.0° | 120.0° |
| C6 | C8 | H31 | H33 | 120.0° | 120.0° |
| C6 | C8 | H32 | H33 | 120.0° | 120.0° |
| C7 | C6 | C5 | H14 | 118.2° | 120.0° |
| C7 | C6 | C5 | C4 | 70.1° | 67.3° |
| C6 | C7 | H2 | H3 | 120.0° | 120.0° |
| C6 | C7 | H2 | H4 | 120.0° | 120.0° |
| C6 | C7 | H3 | H4 | 120.0° | 120.0° |
| C7 | C6 | C5 | H29 | 50.6° | 172.7° |
| C7 | C6 | C5 | H30 | 169.1° | 52.7° |
| C7 | C6 | C8 | H31 | 180.0° | 60.0° |
| C7 | C6 | C8 | H32 | 60.0° | 180.0° |
| C7 | C6 | C8 | H33 | 60.0° | 60.0° |
| C6 | C5 | C4 | H29 | 120.8° | 120.1° |
| C6 | C5 | C4 | H30 | 120.8° | 120.0° |
| C6 | C5 | C4 | N3 | 64.2° | 66.8° |
| C6 | C5 | C4 | C9 | 172.5° | 173.2° |
| C5 | C6 | C7 | H2 | 56.3° | 180.0° |
| C5 | C6 | C7 | H3 | 176.2° | 60.0° |
| C5 | C6 | C7 | H4 | 63.8° | 60.0° |
| C6 | C5 | C4 | H13 | 54.1° | 53.2° |
| C6 | C5 | H29 | H30 | 117.6° | 120.0° |
| C5 | C6 | C8 | H31 | 57.0° | 180.0° |
| C5 | C6 | C8 | H32 | 63.0° | 60.0° |
| C5 | C6 | C8 | H33 | 177.0° | 60.0° |
| C5 | C4 | N3 | C9 | 123.3° | 120.0° |
| C5 | C4 | N3 | H13 | 117.8° | 120.1° |
| C5 | C4 | N3 | P2 | 153.3° | 113.5° |
| C5 | C4 | C9 | H13 | 118.4° | 120.1° |
| C5 | C4 | C9 | O21 | 70.2° | 120.0° |
| C5 | C4 | C9 | N10 | 109.4° | 60.0° |
| C4 | C5 | C6 | H14 | 48.1° | 52.8° |
| C4 | C5 | H29 | H30 | 117.6° | 120.0° |
| C5 | C4 | N3 | H36 | 84.6° | 122.5° |
| O33 | C32 | C30 | H18 | 119.3° | 119.9° |
| O33 | C32 | C30 | H19 | 119.3° | 119.9° |
| O33 | C32 | C30 | C31 | 161.1° | 148.6° |
| O33 | C32 | C30 | N22 | 38.6° | 28.6° |
| C32 | O33 | P2 | N3 | 109.7° | 152.9° |
| C32 | O33 | P2 | N22 | 3.6° | 34.9° |
| C32 | O33 | P2 | O1 | 128.0° | 83.2° |
| O33 | C32 | C30 | H17 | 77.3° | 91.4° |
| O33 | C32 | H18 | H19 | 122.1° | 120.2° |
| C30 | C32 | O33 | P2 | 20.7° | 39.5° |
| C32 | C30 | C31 | N22 | 116.8° | 120.0° |
| C32 | C30 | C31 | H17 | 121.6° | 119.9° |
| C32 | C30 | N22 | H17 | 115.3° | 120.0° |
| C32 | C30 | N22 | P2 | 41.9° | 3.6° |
| C32 | C30 | N22 | C23 | 171.9° | 122.6° |
| C32 | C30 | C31 | H8 | 180.0° | 180.0° |
| C32 | C30 | C31 | H9 | 60.0° | 60.0° |
| C32 | C30 | C31 | H10 | 60.0° | 60.0° |
| C30 | C32 | H18 | H19 | 122.1° | 120.4° |
| O33 | P2 | N22 | C30 | 28.0° | 18.6° |
| O33 | P2 | N3 | C4 | 111.6° | 174.1° |
| O33 | P2 | N3 | N22 | 104.3° | 112.0° |
| O33 | P2 | N3 | O1 | 126.1° | 123.9° |
| O33 | P2 | N22 | O1 | 122.4° | 118.0° |
| O33 | P2 | N22 | C23 | 174.6° | 100.4° |
| P2 | O33 | C32 | H18 | 140.0° | 80.4° |
| P2 | O33 | C32 | H19 | 98.6° | 159.4° |
| O33 | P2 | N3 | H36 | 126.4° | 62.0° |
| C31 | C30 | N22 | H17 | 121.3° | 120.1° |
| C31 | C30 | N22 | P2 | 165.3° | 123.6° |
| C31 | C30 | N22 | C23 | 48.5° | 117.4° |
| C30 | C31 | H8 | H9 | 120.0° | 120.0° |
| C30 | C31 | H8 | H10 | 120.0° | 120.0° |
| C30 | C31 | H9 | H10 | 120.0° | 120.0° |
| C31 | C30 | C32 | H18 | 79.6° | 28.8° |
| C31 | C30 | C32 | H19 | 41.8° | 91.5° |
| C30 | N22 | P2 | N3 | 84.8° | 136.7° |
| C30 | N22 | P2 | C23 | 146.5° | 119.0° |
| C30 | N22 | P2 | O1 | 150.5° | 99.4° |
| C30 | N22 | C23 | C24 | 113.8° | 73.2° |
| N22 | C30 | C31 | H8 | 63.2° | 60.0° |
| N22 | C30 | C31 | H9 | 176.8° | 180.0° |
| N22 | C30 | C31 | H10 | 56.8° | 60.0° |
| C30 | N22 | C23 | H11 | 125.6° | 46.8° |
| C30 | N22 | C23 | H12 | 6.8° | 166.8° |
| N22 | C30 | C32 | H18 | 157.9° | 91.2° |
| N22 | C30 | C32 | H19 | 80.7° | 148.5° |
| C4 | N3 | P2 | H36 | 122.0° | 124.0° |
| N3 | C4 | C9 | H13 | 119.3° | 120.0° |
| C4 | N3 | P2 | N22 | 144.1° | 73.9° |
| C4 | N3 | P2 | O1 | 14.5° | 50.1° |
| N3 | C4 | C9 | O21 | 52.1° | 0.0° |
| N3 | C4 | C9 | N10 | 128.3° | 180.0° |
| N3 | C4 | C5 | H29 | 175.0° | 53.2° |
| N3 | C4 | C5 | H30 | 56.6° | 173.1° |
| P2 | N3 | C4 | C9 | 83.4° | 126.5° |
| N3 | P2 | N22 | O1 | 124.7° | 124.0° |
| N3 | P2 | N22 | C23 | 61.8° | 17.7° |
| P2 | N3 | C4 | H13 | 35.5° | 6.6° |
| C4 | C9 | O21 | N10 | 179.6° | 180.0° |
| C4 | C9 | N10 | C11 | 177.3° | 180.0° |
| C9 | C4 | C5 | H29 | 51.7° | 66.7° |
| C9 | C4 | C5 | H30 | 66.7° | 53.2° |
| C4 | C9 | N10 | H34 | 2.7° | 0.0° |
| C9 | C4 | N3 | H36 | 38.7° | 2.6° |
| P2 | N22 | C23 | C24 | 104.7° | 172.5° |
| P2 | N22 | C23 | H11 | 15.9° | 67.4° |
| P2 | N22 | C23 | H12 | 134.6° | 52.6° |
| P2 | N22 | C30 | H17 | 73.4° | 116.4° |
| N22 | P2 | N3 | H36 | 22.1° | 50.1° |
| O1 | P2 | N22 | C23 | 63.0° | 141.6° |
| O1 | P2 | N3 | H36 | 107.6° | 174.1° |
| N22 | C23 | C24 | H11 | 120.6° | 120.1° |
| N22 | C23 | C24 | H12 | 120.6° | 120.0° |
| N22 | C23 | C24 | C29 | 3.1° | 83.9° |
| N22 | C23 | C24 | C25 | 174.2° | 96.1° |
| N22 | C23 | H11 | H12 | 118.1° | 119.9° |
| C23 | N22 | C30 | H17 | 72.8° | 2.6° |
| O21 | C9 | N10 | C11 | 3.1° | 0.0° |
| O21 | C9 | C4 | H13 | 171.4° | 120.0° |
| O21 | C9 | N10 | H34 | 176.9° | 180.0° |
| C9 | N10 | C11 | H34 | 180.0° | 180.0° |
| C9 | N10 | C11 | C19 | 105.5° | 80.6° |
| C9 | N10 | C11 | C12 | 130.5° | 159.3° |
| N10 | C9 | C4 | H13 | 9.0° | 60.0° |
| C9 | N10 | C11 | H26 | 12.5° | 39.3° |
| C23 | C24 | C29 | C25 | 177.4° | 180.0° |
| C23 | C24 | C29 | C28 | 177.3° | 180.0° |
| C23 | C24 | C25 | C26 | 177.2° | 180.0° |
| C23 | C24 | C25 | H1 | 2.8° | 0.3° |
| C24 | C23 | H11 | H12 | 118.1° | 120.0° |
| C23 | C24 | C29 | H16 | 2.8° | 0.0° |
| N10 | C11 | C19 | O20 | 62.8° | 65.0° |
| N10 | C11 | C19 | C12 | 122.5° | 120.0° |
| N10 | C11 | C19 | H26 | 118.4° | 120.0° |
| N10 | C11 | C12 | H26 | 118.5° | 120.0° |
| N10 | C11 | C12 | C13 | 63.6° | 64.7° |
| N10 | C11 | C12 | H6 | 56.8° | 175.4° |
| N10 | C11 | C12 | H7 | 176.0° | 55.4° |
| N10 | C11 | C19 | H24 | 57.4° | 55.0° |
| N10 | C11 | C19 | H25 | 176.9° | 175.0° |
| O20 | C19 | C11 | H24 | 120.3° | 120.0° |
| O20 | C19 | C11 | H25 | 120.3° | 119.9° |
| O20 | C19 | C11 | C12 | 174.7° | 55.0° |
| O20 | C19 | H24 | H25 | 119.1° | 119.9° |
| O20 | C19 | C11 | H26 | 55.6° | 175.0° |
| C24 | C29 | C28 | H16 | 180.0° | 180.0° |
| C29 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C29 | C28 | C27 | 0.1° | 0.3° |
| C29 | C24 | C25 | H1 | 179.9° | 179.7° |
| C29 | C24 | C23 | H11 | 117.6° | 156.0° |
| C29 | C24 | C23 | H12 | 123.7° | 36.0° |
| C24 | C29 | C28 | H15 | 179.9° | 179.7° |
| C25 | C24 | C29 | C28 | 0.1° | 0.0° |
| C24 | C25 | C26 | H1 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 0.1° | 0.3° |
| C25 | C24 | C23 | H11 | 65.2° | 24.0° |
| C25 | C24 | C23 | H12 | 53.6° | 144.0° |
| C25 | C24 | C29 | H16 | 179.9° | 180.0° |
| C24 | C25 | C26 | H27 | 179.9° | 179.7° |
| C29 | C28 | C27 | H15 | 180.0° | 179.5° |
| C29 | C28 | C27 | C26 | 0.1° | 0.5° |
| C29 | C28 | C27 | H28 | 179.9° | 180.0° |
| C19 | C11 | C12 | H26 | 119.1° | 120.0° |
| C19 | C11 | C12 | C13 | 174.1° | 175.3° |
| C19 | C11 | C12 | H6 | 65.5° | 55.3° |
| C19 | C11 | C12 | H7 | 53.7° | 64.6° |
| C11 | C19 | H24 | H25 | 119.2° | 120.1° |
| C19 | C11 | N10 | H34 | 74.5° | 99.4° |
| C11 | C19 | O20 | H37 | 180.0° | 180.0° |
| C11 | C12 | C13 | H6 | 120.4° | 120.0° |
| C11 | C12 | C13 | H7 | 120.4° | 120.0° |
| C11 | C12 | C13 | C17 | 59.4° | 66.0° |
| C11 | C12 | C13 | C14 | 177.4° | 179.2° |
| C11 | C12 | C13 | H5 | 62.4° | 56.6° |
| C11 | C12 | H6 | H7 | 118.8° | 120.0° |
| C12 | C11 | C19 | H24 | 65.0° | 175.0° |
| C12 | C11 | C19 | H25 | 54.4° | 65.0° |
| C12 | C11 | N10 | H34 | 49.5° | 20.7° |
| C25 | C26 | C27 | C28 | 0.1° | 0.5° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C25 | C26 | C27 | H28 | 179.9° | 180.0° |
| C28 | C27 | C26 | H28 | 180.0° | 179.5° |
| C27 | C28 | C29 | H16 | 179.9° | 179.8° |
| C28 | C27 | C26 | H27 | 179.9° | 179.5° |
| C12 | C13 | C17 | C14 | 122.5° | 118.7° |
| C12 | C13 | C17 | H5 | 122.0° | 122.6° |
| C12 | C13 | C14 | H5 | 120.1° | 122.6° |
| C12 | C13 | C17 | C16 | 140.0° | 143.5° |
| C12 | C13 | C14 | O18 | 56.1° | 45.1° |
| C12 | C13 | C14 | N15 | 126.4° | 134.9° |
| C13 | C12 | H6 | H7 | 118.9° | 120.0° |
| C12 | C13 | C17 | H22 | 20.8° | 25.3° |
| C12 | C13 | C17 | H23 | 100.9° | 98.4° |
| C13 | C12 | C11 | H26 | 54.9° | 55.3° |
| C17 | C13 | C14 | H5 | 115.3° | 118.7° |
| C13 | C17 | C16 | H22 | 119.2° | 118.2° |
| C13 | C17 | C16 | H23 | 119.2° | 118.1° |
| C13 | C17 | C16 | N15 | 25.8° | 25.5° |
| C17 | C13 | C14 | O18 | 179.3° | 163.8° |
| C17 | C13 | C14 | N15 | 1.8° | 16.2° |
| C17 | C13 | C12 | H6 | 179.8° | 54.0° |
| C17 | C13 | C12 | H7 | 60.9° | 174.0° |
| C13 | C17 | C16 | H20 | 144.6° | 144.4° |
| C13 | C17 | C16 | H21 | 93.0° | 93.6° |
| C13 | C17 | H22 | H23 | 122.3° | 123.8° |
| C14 | C13 | C17 | C16 | 17.5° | 24.8° |
| C13 | C14 | N15 | C16 | 16.4° | 0.5° |
| C13 | C14 | O18 | N15 | 177.1° | 180.0° |
| C14 | C13 | C12 | H6 | 62.2° | 60.8° |
| C14 | C13 | C12 | H7 | 57.0° | 59.2° |
| C14 | C13 | C17 | H22 | 101.7° | 93.4° |
| C14 | C13 | C17 | H23 | 136.7° | 143.0° |
| C13 | C14 | N15 | H35 | 163.6° | 179.6° |
| C27 | C26 | C25 | H1 | 179.9° | 179.9° |
| C26 | C27 | C28 | H15 | 179.9° | 180.0° |
| C17 | C16 | N15 | H20 | 118.8° | 119.0° |
| C17 | C16 | N15 | H21 | 118.8° | 119.1° |
| C17 | C16 | N15 | C14 | 27.4° | 17.1° |
| C16 | C17 | C13 | H5 | 98.1° | 93.9° |
| C17 | C16 | H20 | H21 | 123.4° | 122.1° |
| C16 | C17 | H22 | H23 | 122.4° | 123.8° |
| C17 | C16 | N15 | H35 | 152.6° | 163.0° |
| C16 | N15 | C14 | O18 | 161.1° | 179.5° |
| C16 | N15 | C14 | H35 | 180.0° | 179.9° |
| N15 | C16 | H20 | H21 | 123.4° | 121.9° |
| N15 | C16 | C17 | H22 | 93.4° | 92.7° |
| N15 | C16 | C17 | H23 | 145.0° | 143.6° |
| O18 | C14 | C13 | H5 | 64.0° | 77.5° |
| O18 | C14 | N15 | H35 | 18.9° | 0.4° |
| N15 | C14 | C13 | H5 | 113.5° | 102.5° |
| C14 | N15 | C16 | H20 | 146.2° | 136.1° |
| C14 | N15 | C16 | H21 | 91.5° | 102.1° |
| H1 | C25 | C26 | H27 | 0.2° | 0.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H2 | C7 | C6 | H14 | 61.8° | 60.0° |
| H3 | C7 | C6 | H14 | 58.2° | 180.0° |
| H4 | C7 | C6 | H14 | 178.2° | 60.0° |
| H5 | C13 | C12 | H6 | 58.0° | 176.6° |
| H5 | C13 | C12 | H7 | 177.3° | 63.5° |
| H5 | C13 | C17 | H22 | 142.7° | 147.9° |
| H5 | C13 | C17 | H23 | 21.1° | 24.2° |
| H6 | C12 | C11 | H26 | 175.3° | 64.7° |
| H7 | C12 | C11 | H26 | 65.4° | 175.3° |
| H8 | C31 | H9 | H10 | 120.0° | 120.0° |
| H8 | C31 | C30 | H17 | 58.4° | 60.1° |
| H9 | C31 | C30 | H17 | 61.6° | 60.0° |
| H10 | C31 | C30 | H17 | 178.4° | 179.9° |
| H13 | C4 | C5 | H29 | 66.7° | 173.3° |
| H13 | C4 | C5 | H30 | 174.9° | 66.8° |
| H13 | C4 | N3 | H36 | 157.5° | 117.4° |
| H14 | C6 | C5 | H29 | 168.8° | 67.3° |
| H14 | C6 | C5 | H30 | 72.7° | 172.8° |
| H14 | C6 | C8 | H31 | 61.7° | 60.0° |
| H14 | C6 | C8 | H32 | 178.3° | 60.0° |
| H14 | C6 | C8 | H33 | 58.3° | NaN° |
| H15 | C28 | C29 | H16 | 0.1° | 0.3° |
| H15 | C28 | C27 | H28 | 0.0° | 0.5° |
| H17 | C30 | C32 | H18 | 42.0° | 148.8° |
| H17 | C30 | C32 | H19 | 163.5° | 28.5° |
| H20 | C16 | C17 | H22 | 25.4° | 26.2° |
| H20 | C16 | C17 | H23 | 96.2° | 97.5° |
| H20 | C16 | N15 | H35 | 33.8° | 44.0° |
| H21 | C16 | C17 | H22 | 147.8° | 148.2° |
| H21 | C16 | C17 | H23 | 26.1° | 24.6° |
| H21 | C16 | N15 | H35 | 88.5° | 77.9° |
| H24 | C19 | C11 | H26 | 175.9° | 65.0° |
| H24 | C19 | O20 | H37 | 59.7° | 60.0° |
| H25 | C19 | C11 | H26 | 64.7° | 55.1° |
| H25 | C19 | O20 | H37 | 59.7° | 60.0° |
| H26 | C11 | N10 | H34 | 167.6° | 140.7° |
| H27 | C26 | C27 | H28 | 0.1° | 0.1° |
| H31 | C8 | H32 | H33 | 120.0° | 120.0° |
