3SR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | doub | 1.35Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | O31 | sing | 1.34Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.37Å | 1.39Å | Aromatic |
| O31 | C27 | sing | 1.35Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.47Å | 1.51Å | |
| C26 | O32 | doub | 1.22Å | 1.23Å | |
| C26 | N23 | sing | 1.35Å | 1.36Å | |
| C24 | N23 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| N23 | C22 | sing | 1.47Å | 1.46Å | |
| C25 | N20 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C12 | N4 | sing | 1.46Å | 1.47Å | |
| N20 | C19 | sing | 1.47Å | 1.46Å | |
| N20 | C21 | sing | 1.47Å | 1.47Å | |
| N9 | C8 | doub | 1.31Å | 1.37Å | Aromatic |
| N9 | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| C19 | C8 | sing | 1.51Å | 1.52Å | |
| N4 | C3 | sing | 1.38Å | 1.35Å | |
| N4 | C5 | sing | 1.35Å | 1.44Å | |
| C8 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.45Å | Aromatic |
| O11 | C5 | doub | 1.22Å | 1.24Å | |
| C5 | N6 | sing | 1.34Å | 1.42Å | |
| N7 | C2 | sing | 1.38Å | 1.33Å | Aromatic |
| N7 | C14 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.41Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N6 | C1 | sing | 1.35Å | 1.41Å | |
| N6 | C13 | sing | 1.47Å | 1.47Å | |
| C1 | O10 | doub | 1.22Å | 1.25Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 107.7° | 107.1° |
| C29 | C30 | O31 | 108.8° | 108.7° |
| C29 | C30 | H12 | 125.6° | 125.6° |
| C30 | C29 | H13 | 126.2° | 126.4° |
| C29 | C28 | C27 | 107.0° | 106.7° |
| C28 | C29 | H13 | 126.1° | 126.4° |
| C29 | C28 | H14 | 126.5° | 126.7° |
| C30 | O31 | C27 | 106.9° | 109.4° |
| O31 | C30 | H12 | 125.6° | 125.7° |
| C28 | C27 | O31 | 109.7° | 108.0° |
| C28 | C27 | C26 | 131.9° | 126.0° |
| C27 | C28 | H14 | 126.5° | 126.6° |
| O31 | C27 | C26 | 118.4° | 126.0° |
| C27 | C26 | O32 | 114.6° | 120.0° |
| C27 | C26 | N23 | 125.0° | 120.0° |
| O32 | C26 | N23 | 120.4° | 120.0° |
| C26 | N23 | C24 | 118.5° | 120.9° |
| C26 | N23 | C22 | 114.4° | 120.9° |
| N23 | C24 | C25 | 107.6° | 108.5° |
| C24 | N23 | C22 | 109.4° | 118.3° |
| N23 | C24 | H17 | 109.9° | 109.7° |
| N23 | C24 | H18 | 110.0° | 109.7° |
| C24 | C25 | N20 | 109.7° | 109.3° |
| C25 | C24 | H17 | 109.9° | 109.6° |
| C25 | C24 | H18 | 109.9° | 109.6° |
| C24 | C25 | H19 | 109.4° | 109.5° |
| C24 | C25 | H20 | 109.4° | 109.5° |
| N23 | C22 | C21 | 107.4° | 108.5° |
| N23 | C22 | H15 | 110.0° | 109.7° |
| N23 | C22 | H16 | 110.0° | 109.7° |
| C25 | N20 | C19 | 119.5° | 111.0° |
| C25 | N20 | C21 | 118.6° | 111.3° |
| N20 | C25 | H19 | 109.4° | 109.5° |
| N20 | C25 | H20 | 109.4° | 109.5° |
| C22 | C21 | N20 | 108.1° | 109.4° |
| C22 | C21 | H10 | 109.8° | 109.5° |
| C22 | C21 | H11 | 109.8° | 109.5° |
| C21 | C22 | H15 | 110.0° | 109.6° |
| C21 | C22 | H16 | 110.0° | 109.6° |
| C12 | N4 | C3 | 120.0° | 120.0° |
| C12 | N4 | C5 | 122.0° | 119.9° |
| N4 | C12 | H26 | 109.5° | 109.5° |
| N4 | C12 | H27 | 109.5° | 109.5° |
| N4 | C12 | H28 | 109.4° | 109.5° |
| C19 | N20 | C21 | 119.4° | 111.0° |
| N20 | C19 | C8 | 115.3° | 109.4° |
| N20 | C19 | H8 | 108.0° | 109.5° |
| N20 | C19 | H9 | 108.0° | 109.5° |
| N20 | C21 | H10 | 109.8° | 109.5° |
| N20 | C21 | H11 | 109.8° | 109.5° |
| C8 | N9 | C3 | 107.4° | 109.9° |
| N9 | C8 | C19 | 122.8° | 125.2° |
| N9 | C8 | N7 | 111.1° | 109.7° |
| N9 | C3 | N4 | 132.1° | 133.9° |
| N9 | C3 | C2 | 106.0° | 107.2° |
| C19 | C8 | N7 | 126.1° | 125.2° |
| C8 | C19 | H8 | 108.0° | 109.4° |
| C8 | C19 | H9 | 108.0° | 109.5° |
| C3 | N4 | C5 | 118.0° | 120.1° |
| N4 | C3 | C2 | 121.9° | 118.9° |
| N4 | C5 | O11 | 120.8° | 119.2° |
| N4 | C5 | N6 | 122.8° | 121.6° |
| C8 | N7 | C2 | 106.8° | 107.0° |
| C8 | N7 | C14 | 128.2° | 126.5° |
| C3 | C2 | N7 | 108.7° | 106.3° |
| C3 | C2 | C1 | 120.4° | 119.2° |
| O11 | C5 | N6 | 116.3° | 119.2° |
| C5 | N6 | C1 | 120.9° | 121.0° |
| C5 | N6 | C13 | 119.4° | 119.5° |
| C2 | N7 | C14 | 124.9° | 126.5° |
| N7 | C2 | C1 | 130.9° | 134.6° |
| N7 | C14 | C15 | 107.6° | 109.5° |
| N7 | C14 | H22 | 109.9° | 109.5° |
| N7 | C14 | H23 | 109.9° | 109.5° |
| C2 | C1 | N6 | 116.0° | 119.2° |
| C2 | C1 | O10 | 122.4° | 120.5° |
| C14 | C15 | C16 | 116.7° | 109.5° |
| C15 | C14 | H22 | 109.9° | 109.5° |
| C15 | C14 | H23 | 109.9° | 109.5° |
| C14 | C15 | H24 | 107.7° | 109.5° |
| C14 | C15 | H25 | 107.7° | 109.5° |
| C15 | C16 | C18 | 109.6° | 109.4° |
| C15 | C16 | C17 | 112.9° | 109.5° |
| C15 | C16 | H1 | 108.1° | 109.5° |
| C16 | C15 | H24 | 107.6° | 109.5° |
| C16 | C15 | H25 | 107.6° | 109.5° |
| C1 | N6 | C13 | 119.7° | 119.5° |
| N6 | C1 | O10 | 121.6° | 120.3° |
| N6 | C13 | H29 | 109.5° | 109.4° |
| N6 | C13 | H30 | 109.5° | 109.4° |
| N6 | C13 | H31 | 109.5° | 109.5° |
| C18 | C16 | C17 | 109.9° | 109.5° |
| C18 | C16 | H1 | 108.0° | 109.4° |
| C16 | C18 | H5 | 109.5° | 109.5° |
| C16 | C18 | H6 | 109.4° | 109.5° |
| C16 | C18 | H7 | 109.5° | 109.5° |
| C17 | C16 | H1 | 108.2° | 109.5° |
| C16 | C17 | H2 | 109.5° | 109.4° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.4° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H5 | C18 | H7 | 109.5° | 109.4° |
| H6 | C18 | H7 | 109.5° | 109.4° |
| H8 | C19 | H9 | 109.4° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.8° |
| H17 | C24 | H18 | 109.5° | 109.7° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.4° |
| H26 | C12 | H27 | 109.5° | 109.4° |
| H26 | C12 | H28 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H29 | C13 | H30 | 109.5° | 109.5° |
| H29 | C13 | H31 | 109.4° | 109.5° |
| H30 | C13 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H13 | 180.0° | 179.7° |
| C29 | C30 | O31 | H12 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.5° | 0.4° |
| C29 | C30 | O31 | C27 | 0.5° | 0.1° |
| C30 | C29 | C28 | H14 | 179.5° | 180.0° |
| C28 | C29 | C30 | O31 | 0.0° | 0.3° |
| C29 | C28 | C27 | H14 | 180.0° | 179.6° |
| C29 | C28 | C27 | O31 | 0.8° | 0.4° |
| C29 | C28 | C27 | C26 | 179.0° | 179.8° |
| C28 | C29 | C30 | H12 | 180.0° | 179.8° |
| C30 | O31 | C27 | C28 | 0.8° | 0.2° |
| C30 | O31 | C27 | C26 | 179.3° | 180.0° |
| O31 | C30 | C29 | H13 | 180.0° | 180.0° |
| C28 | C27 | O31 | C26 | 178.5° | 179.8° |
| C28 | C27 | C26 | O32 | 13.6° | 7.0° |
| C28 | C27 | C26 | N23 | 167.0° | 173.0° |
| C27 | C28 | C29 | H13 | 179.5° | 179.9° |
| O31 | C27 | C26 | O32 | 164.5° | 172.8° |
| O31 | C27 | C26 | N23 | 14.9° | 7.2° |
| C27 | O31 | C30 | H12 | 179.5° | 180.0° |
| O31 | C27 | C28 | H14 | 179.2° | 180.0° |
| C27 | C26 | O32 | N23 | 179.5° | 180.0° |
| C27 | C26 | N23 | C24 | 18.7° | 3.6° |
| C27 | C26 | N23 | C22 | 112.8° | 176.4° |
| C26 | C27 | C28 | H14 | 1.0° | 0.2° |
| O32 | C26 | N23 | C24 | 161.9° | 176.4° |
| O32 | C26 | N23 | C22 | 66.7° | 3.6° |
| C26 | N23 | C24 | C22 | 133.6° | 179.9° |
| C26 | N23 | C24 | C25 | 159.1° | 128.9° |
| C26 | N23 | C22 | C21 | 155.2° | 128.9° |
| C26 | N23 | C22 | H15 | 85.1° | 111.5° |
| C26 | N23 | C22 | H16 | 35.6° | 9.2° |
| C26 | N23 | C24 | H17 | 39.4° | 111.5° |
| C26 | N23 | C24 | H18 | 81.2° | 9.1° |
| N23 | C24 | C25 | H17 | 119.7° | 119.7° |
| N23 | C24 | C25 | H18 | 119.7° | 119.8° |
| N23 | C24 | C25 | N20 | 53.7° | 53.8° |
| C24 | N23 | C22 | C21 | 69.1° | 51.2° |
| C24 | N23 | C22 | H15 | 50.6° | 68.5° |
| C24 | N23 | C22 | H16 | 171.3° | 170.9° |
| N23 | C24 | H17 | H18 | 120.9° | 120.5° |
| N23 | C24 | C25 | H19 | 66.4° | 173.8° |
| N23 | C24 | C25 | H20 | 173.7° | 66.1° |
| C25 | C24 | N23 | C22 | 67.3° | 51.2° |
| C24 | C25 | N20 | H19 | 120.0° | 120.0° |
| C24 | C25 | N20 | H20 | 120.0° | 119.9° |
| C24 | C25 | N20 | C19 | 114.1° | 172.8° |
| C24 | C25 | N20 | C21 | 48.1° | 63.0° |
| C25 | C24 | H17 | H18 | 120.8° | 120.4° |
| C24 | C25 | H19 | H20 | 119.9° | 120.1° |
| N23 | C22 | C21 | H15 | 119.7° | 119.7° |
| N23 | C22 | C21 | H16 | 119.7° | 119.7° |
| N23 | C22 | C21 | N20 | 56.3° | 53.8° |
| N23 | C22 | C21 | H10 | 176.2° | 66.2° |
| N23 | C22 | C21 | H11 | 63.5° | 173.9° |
| N23 | C22 | H15 | H16 | 121.0° | 120.6° |
| C22 | N23 | C24 | H17 | 173.0° | 68.5° |
| C22 | N23 | C24 | H18 | 52.4° | 170.9° |
| C25 | N20 | C21 | C22 | 49.1° | 63.1° |
| C25 | N20 | C19 | C21 | 162.0° | 124.3° |
| C25 | N20 | C19 | C8 | 57.9° | 170.0° |
| C25 | N20 | C19 | H8 | 62.9° | 50.0° |
| C25 | N20 | C19 | H9 | 178.8° | 70.0° |
| C25 | N20 | C21 | H10 | 168.9° | 56.9° |
| C25 | N20 | C21 | H11 | 70.7° | 176.9° |
| N20 | C25 | C24 | H17 | 173.4° | 65.9° |
| N20 | C25 | C24 | H18 | 66.1° | 173.6° |
| N20 | C25 | H19 | H20 | 119.9° | 120.1° |
| C22 | C21 | N20 | C19 | 113.1° | 172.8° |
| C22 | C21 | N20 | H10 | 119.8° | 120.0° |
| C22 | C21 | N20 | H11 | 119.8° | 120.0° |
| C22 | C21 | H10 | H11 | 120.6° | 120.0° |
| C21 | C22 | H15 | H16 | 120.9° | 120.5° |
| C12 | N4 | C3 | N9 | 0.5° | 0.0° |
| C12 | N4 | C3 | C5 | 179.3° | 180.0° |
| C12 | N4 | C3 | C2 | 179.7° | 180.0° |
| C12 | N4 | C5 | O11 | 0.8° | 0.2° |
| C12 | N4 | C5 | N6 | 179.9° | 179.8° |
| N4 | C12 | H26 | H27 | 120.0° | 120.0° |
| N4 | C12 | H26 | H28 | 120.0° | 120.0° |
| N4 | C12 | H27 | H28 | 120.0° | 120.0° |
| N20 | C19 | C8 | N9 | 127.2° | 90.0° |
| N20 | C19 | C8 | H8 | 120.9° | 120.0° |
| N20 | C19 | C8 | H9 | 120.9° | 120.0° |
| N20 | C19 | C8 | N7 | 54.5° | 90.0° |
| N20 | C19 | H8 | H9 | 117.4° | 120.0° |
| C19 | N20 | C21 | H10 | 6.7° | 67.2° |
| C19 | N20 | C21 | H11 | 127.1° | 52.7° |
| C19 | N20 | C25 | H19 | 125.9° | 52.8° |
| C19 | N20 | C25 | H20 | 5.9° | 67.3° |
| C21 | N20 | C19 | C8 | 140.0° | 65.7° |
| C21 | N20 | C19 | H8 | 99.1° | 174.3° |
| C21 | N20 | C19 | H9 | 19.2° | 54.3° |
| N20 | C21 | H10 | H11 | 120.6° | 120.0° |
| N20 | C21 | C22 | H15 | 63.3° | 65.9° |
| N20 | C21 | C22 | H16 | 176.0° | 173.5° |
| C21 | N20 | C25 | H19 | 71.9° | 177.0° |
| C21 | N20 | C25 | H20 | 168.1° | 56.9° |
| N9 | C8 | C19 | N7 | 178.3° | 180.0° |
| C8 | N9 | C3 | N4 | 179.2° | 180.0° |
| C8 | N9 | C3 | C2 | 0.2° | 0.0° |
| N9 | C8 | N7 | C2 | 0.9° | 0.0° |
| N9 | C8 | N7 | C14 | 179.8° | 180.0° |
| N9 | C8 | C19 | H8 | 6.3° | 150.0° |
| N9 | C8 | C19 | H9 | 111.9° | 30.0° |
| C3 | N9 | C8 | C19 | 179.1° | 180.0° |
| N9 | C3 | N4 | C2 | 179.2° | 180.0° |
| N9 | C3 | N4 | C5 | 179.8° | 180.0° |
| C3 | N9 | C8 | N7 | 0.6° | 0.0° |
| N9 | C3 | C2 | N7 | 0.4° | 0.0° |
| N9 | C3 | C2 | C1 | 179.6° | 180.0° |
| C19 | C8 | N7 | C2 | 179.3° | 180.0° |
| C19 | C8 | N7 | C14 | 1.8° | 0.0° |
| C8 | C19 | H8 | H9 | 117.3° | 120.0° |
| C3 | N4 | C5 | O11 | 179.9° | 179.7° |
| C3 | N4 | C5 | N6 | 0.6° | 0.2° |
| N4 | C3 | C2 | N7 | 179.8° | 180.0° |
| N4 | C3 | C2 | C1 | 1.0° | 0.0° |
| C3 | N4 | C12 | H26 | 180.0° | 90.0° |
| C3 | N4 | C12 | H27 | 60.0° | 150.1° |
| C3 | N4 | C12 | H28 | 60.0° | 30.0° |
| C5 | N4 | C3 | C2 | 1.0° | 0.1° |
| N4 | C5 | O11 | N6 | 179.4° | 179.6° |
| N4 | C5 | N6 | C1 | 0.1° | 0.5° |
| N4 | C5 | N6 | C13 | 179.7° | 180.0° |
| C5 | N4 | C12 | H26 | 0.7° | 90.0° |
| C5 | N4 | C12 | H27 | 120.7° | 29.9° |
| C5 | N4 | C12 | H28 | 119.3° | 150.0° |
| C8 | N7 | C2 | C3 | 0.7° | 0.0° |
| C8 | N7 | C2 | C14 | 179.0° | 180.0° |
| C8 | N7 | C2 | C1 | 179.9° | 180.0° |
| C8 | N7 | C14 | C15 | 103.1° | 90.0° |
| N7 | C8 | C19 | H8 | 175.4° | 30.0° |
| N7 | C8 | C19 | H9 | 66.4° | 150.0° |
| C8 | N7 | C14 | H22 | 137.2° | 150.0° |
| C8 | N7 | C14 | H23 | 16.6° | 30.0° |
| C3 | C2 | N7 | C1 | 179.1° | 180.0° |
| C3 | C2 | N7 | C14 | 179.7° | 180.0° |
| C3 | C2 | C1 | N6 | 0.5° | 0.3° |
| C3 | C2 | C1 | O10 | 179.5° | 179.9° |
| O11 | C5 | N6 | C1 | 179.5° | 180.0° |
| O11 | C5 | N6 | C13 | 0.4° | 0.5° |
| C5 | N6 | C1 | C2 | 0.1° | 0.5° |
| C5 | N6 | C1 | C13 | 179.8° | 179.5° |
| C5 | N6 | C1 | O10 | 179.9° | 179.8° |
| C5 | N6 | C13 | H29 | 180.0° | 0.1° |
| C5 | N6 | C13 | H30 | 60.0° | 120.0° |
| C5 | N6 | C13 | H31 | 60.0° | 119.9° |
| C2 | N7 | C14 | C15 | 75.7° | 90.0° |
| N7 | C2 | C1 | N6 | 179.5° | 179.7° |
| N7 | C2 | C1 | O10 | 0.4° | 0.0° |
| C2 | N7 | C14 | H22 | 44.1° | 30.0° |
| C2 | N7 | C14 | H23 | 164.6° | 150.0° |
| C14 | N7 | C2 | C1 | 1.2° | 0.0° |
| N7 | C14 | C15 | H22 | 119.7° | 120.0° |
| N7 | C14 | C15 | H23 | 119.7° | 120.0° |
| N7 | C14 | C15 | C16 | 177.1° | 180.0° |
| N7 | C14 | H22 | H23 | 120.8° | 120.0° |
| N7 | C14 | C15 | H24 | 61.9° | 59.9° |
| N7 | C14 | C15 | H25 | 56.1° | 60.0° |
| C2 | C1 | N6 | O10 | 179.9° | 179.7° |
| C2 | C1 | N6 | C13 | 179.8° | 180.0° |
| C14 | C15 | C16 | H24 | 121.1° | 120.0° |
| C14 | C15 | C16 | H25 | 121.0° | 120.0° |
| C14 | C15 | C16 | C18 | 177.7° | 65.0° |
| C14 | C15 | C16 | C17 | 54.9° | 175.0° |
| C14 | C15 | C16 | H1 | 64.7° | 54.9° |
| C15 | C14 | H22 | H23 | 120.9° | 120.0° |
| C14 | C15 | H24 | H25 | 116.8° | 120.0° |
| C15 | C16 | C18 | C17 | 124.6° | 120.0° |
| C15 | C16 | C18 | H1 | 117.6° | 120.0° |
| C15 | C16 | C17 | H1 | 119.6° | 120.0° |
| C15 | C16 | C17 | H2 | 180.0° | 180.0° |
| C15 | C16 | C17 | H3 | 60.0° | 60.0° |
| C15 | C16 | C17 | H4 | 60.0° | 60.0° |
| C15 | C16 | C18 | H5 | 180.0° | 60.0° |
| C15 | C16 | C18 | H6 | 60.0° | 180.0° |
| C15 | C16 | C18 | H7 | 60.0° | 60.0° |
| C16 | C15 | C14 | H22 | 57.4° | 60.0° |
| C16 | C15 | C14 | H23 | 63.2° | 60.0° |
| C16 | C15 | H24 | H25 | 116.7° | 120.0° |
| C1 | N6 | C13 | H29 | 0.2° | 179.6° |
| C1 | N6 | C13 | H30 | 119.9° | 60.5° |
| C1 | N6 | C13 | H31 | 120.2° | 59.6° |
| C13 | N6 | C1 | O10 | 0.3° | 0.3° |
| N6 | C13 | H29 | H30 | 120.0° | 119.9° |
| N6 | C13 | H29 | H31 | 120.0° | 120.0° |
| N6 | C13 | H30 | H31 | 120.0° | 120.0° |
| C18 | C16 | C17 | H1 | 117.7° | 120.0° |
| C18 | C16 | C17 | H2 | 57.3° | 60.0° |
| C18 | C16 | C17 | H3 | 62.7° | 180.0° |
| C18 | C16 | C17 | H4 | 177.3° | 60.0° |
| C16 | C18 | H5 | H6 | 120.0° | 120.0° |
| C16 | C18 | H5 | H7 | 120.0° | 120.0° |
| C16 | C18 | H6 | H7 | 120.0° | 120.0° |
| C18 | C16 | C15 | H24 | 61.2° | 55.1° |
| C18 | C16 | C15 | H25 | 56.7° | 175.0° |
| C16 | C17 | H2 | H3 | 120.0° | 120.0° |
| C16 | C17 | H2 | H4 | 120.0° | 119.9° |
| C16 | C17 | H3 | H4 | 120.0° | 119.9° |
| C17 | C16 | C18 | H5 | 55.4° | 180.0° |
| C17 | C16 | C18 | H6 | 175.4° | 60.0° |
| C17 | C16 | C18 | H7 | 64.6° | 60.0° |
| C17 | C16 | C15 | H24 | 175.9° | 65.0° |
| C17 | C16 | C15 | H25 | 66.2° | 55.0° |
| H1 | C16 | C17 | H2 | 60.4° | 60.0° |
| H1 | C16 | C17 | H3 | 179.5° | 60.0° |
| H1 | C16 | C17 | H4 | 59.6° | 180.0° |
| H1 | C16 | C18 | H5 | 62.4° | 60.0° |
| H1 | C16 | C18 | H6 | 57.6° | 60.0° |
| H1 | C16 | C18 | H7 | 177.6° | 180.0° |
| H1 | C16 | C15 | H24 | 56.3° | 175.0° |
| H1 | C16 | C15 | H25 | 174.2° | 65.1° |
| H2 | C17 | H3 | H4 | 120.0° | 120.0° |
| H5 | C18 | H6 | H7 | 120.0° | 120.0° |
| H10 | C21 | C22 | H15 | 56.5° | 174.1° |
| H10 | C21 | C22 | H16 | 64.2° | 53.5° |
| H11 | C21 | C22 | H15 | 176.9° | 54.2° |
| H11 | C21 | C22 | H16 | 56.2° | 66.4° |
| H12 | C30 | C29 | H13 | 0.0° | 0.1° |
| H13 | C29 | C28 | H14 | 0.5° | 0.3° |
| H17 | C24 | C25 | H19 | 53.4° | 54.1° |
| H17 | C24 | C25 | H20 | 66.6° | 174.2° |
| H18 | C24 | C25 | H19 | 173.9° | 66.5° |
| H18 | C24 | C25 | H20 | 54.0° | 53.7° |
| H22 | C14 | C15 | H24 | 178.4° | 60.0° |
| H22 | C14 | C15 | H25 | 63.6° | 180.0° |
| H23 | C14 | C15 | H24 | 57.8° | 179.9° |
| H23 | C14 | C15 | H25 | 175.8° | 60.0° |
| H26 | C12 | H27 | H28 | 120.0° | 120.0° |
| H29 | C13 | H30 | H31 | 120.0° | 120.1° |
