MBU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C26 | N06 | doub | 1.32Å | 1.34Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| N06 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C02 | sing | 1.53Å | 1.56Å | |
| C25 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C02 | sing | 1.51Å | 1.54Å | |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | N01 | sing | 1.46Å | 1.47Å | |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| N01 | C01 | sing | 1.46Å | 1.48Å | |
| N01 | C03 | sing | 1.35Å | 1.38Å | |
| C01 | C06 | sing | 1.53Å | 1.54Å | |
| O01 | C03 | doub | 1.22Å | 1.23Å | |
| C03 | C04 | sing | 1.48Å | 1.45Å | |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| F01 | C17 | sing | 1.40Å | 1.35Å | |
| F02 | C17 | sing | 1.40Å | 1.35Å | |
| C11 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | F03 | sing | 1.40Å | 1.34Å | |
| C07 | C18 | sing | 1.49Å | 1.45Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | N04 | doub | 1.31Å | 1.32Å | Aromatic |
| C18 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| N04 | N05 | sing | 1.40Å | 1.34Å | Aromatic |
| C19 | N05 | sing | 1.35Å | 1.37Å | Aromatic |
| N05 | C20 | sing | 1.46Å | 1.46Å | |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | N03 | sing | 1.46Å | 1.50Å | |
| N03 | C12 | sing | 1.35Å | 1.48Å | Aromatic |
| N03 | C14 | sing | 1.37Å | 1.51Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | N02 | doub | 1.30Å | 1.26Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.33Å | Aromatic |
| N02 | C15 | sing | 1.34Å | 1.42Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C02 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C24 | C23 | 60.0° | 60.0° |
| C24 | C22 | C23 | 60.0° | 60.0° |
| C24 | C22 | H12 | 120.0° | 117.5° |
| C24 | C22 | H13 | 120.0° | 117.5° |
| C22 | C24 | H14 | 120.0° | 117.5° |
| C22 | C24 | H15 | 120.0° | 117.5° |
| C24 | C23 | C22 | 60.0° | 60.0° |
| C24 | C23 | C02 | 114.4° | 117.5° |
| C23 | C24 | H14 | 120.0° | 117.5° |
| C23 | C24 | H15 | 120.0° | 117.5° |
| C24 | C23 | H27 | 118.4° | 117.5° |
| N06 | C26 | C25 | 121.5° | 120.8° |
| C26 | N06 | C27 | 119.7° | 121.7° |
| N06 | C26 | H16 | 119.3° | 119.6° |
| C26 | C25 | C29 | 120.4° | 119.2° |
| C25 | C26 | H16 | 119.2° | 119.6° |
| C26 | C25 | H28 | 119.8° | 120.4° |
| N06 | C27 | C02 | 115.9° | 119.6° |
| N06 | C27 | C28 | 120.9° | 120.7° |
| C22 | C23 | C02 | 116.0° | 117.5° |
| C23 | C22 | H12 | 120.0° | 117.5° |
| C23 | C22 | H13 | 120.0° | 117.5° |
| C22 | C23 | H27 | 118.4° | 117.5° |
| C23 | C02 | C27 | 113.7° | 109.5° |
| C23 | C02 | N01 | 110.7° | 109.5° |
| C23 | C02 | H20 | 107.6° | 109.5° |
| C02 | C23 | H27 | 117.2° | 115.5° |
| C25 | C29 | C28 | 117.1° | 118.4° |
| C25 | C29 | C30 | 121.2° | 120.8° |
| C29 | C25 | H28 | 119.8° | 120.4° |
| C02 | C27 | C28 | 123.3° | 119.6° |
| C27 | C02 | N01 | 108.2° | 109.5° |
| C27 | C02 | H20 | 107.8° | 109.5° |
| C27 | C28 | C29 | 120.5° | 119.2° |
| C27 | C28 | H17 | 119.8° | 120.4° |
| C02 | N01 | C01 | 121.1° | 119.5° |
| C02 | N01 | C03 | 116.8° | 119.5° |
| N01 | C02 | H20 | 108.7° | 109.4° |
| C28 | C29 | C30 | 121.7° | 120.7° |
| C29 | C28 | H17 | 119.7° | 120.5° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H31 | 109.5° | 109.5° |
| C01 | N01 | C03 | 121.9° | 121.0° |
| N01 | C01 | C06 | 109.5° | 110.9° |
| N01 | C01 | H18 | 109.5° | 109.2° |
| N01 | C01 | H19 | 109.5° | 109.1° |
| N01 | C03 | O01 | 119.7° | 120.3° |
| N01 | C03 | C04 | 118.0° | 119.4° |
| C01 | C06 | C05 | 108.0° | 110.1° |
| C06 | C01 | H18 | 109.5° | 109.2° |
| C06 | C01 | H19 | 109.5° | 109.2° |
| C01 | C06 | H21 | 109.9° | 109.3° |
| C01 | C06 | H22 | 109.8° | 109.4° |
| O01 | C03 | C04 | 122.4° | 120.3° |
| C03 | C04 | C05 | 119.2° | 119.0° |
| C03 | C04 | C11 | 119.7° | 120.9° |
| C06 | C05 | C04 | 120.1° | 119.5° |
| C06 | C05 | C07 | 120.5° | 120.7° |
| C05 | C06 | H21 | 109.8° | 109.3° |
| C05 | C06 | H22 | 109.8° | 109.4° |
| C05 | C04 | C11 | 121.1° | 120.0° |
| C04 | C05 | C07 | 119.4° | 119.7° |
| C04 | C11 | C09 | 119.9° | 119.9° |
| C04 | C11 | H24 | 120.0° | 120.0° |
| C05 | C07 | C18 | 122.7° | 120.1° |
| C05 | C07 | C08 | 118.8° | 119.7° |
| F01 | C17 | F02 | 104.8° | 109.5° |
| F01 | C17 | C16 | 115.7° | 109.5° |
| F01 | C17 | F03 | 110.2° | 109.5° |
| F02 | C17 | C16 | 106.7° | 109.5° |
| F02 | C17 | F03 | 111.7° | 109.5° |
| C11 | C09 | C08 | 118.5° | 120.4° |
| C11 | C09 | C10 | 120.8° | 119.8° |
| C09 | C11 | H24 | 120.0° | 120.1° |
| C16 | C17 | F03 | 107.7° | 109.5° |
| C17 | C16 | C18 | 123.9° | 126.0° |
| C17 | C16 | N04 | 124.6° | 125.9° |
| C18 | C07 | C08 | 118.5° | 120.2° |
| C07 | C18 | C16 | 125.2° | 126.2° |
| C07 | C18 | C19 | 129.7° | 126.2° |
| C07 | C08 | C09 | 122.3° | 120.2° |
| C07 | C08 | H23 | 118.9° | 119.9° |
| C21 | C20 | N05 | 108.2° | 109.5° |
| C21 | C20 | H7 | 109.8° | 109.5° |
| C21 | C20 | H8 | 109.8° | 109.5° |
| C20 | C21 | H9 | 109.5° | 109.5° |
| C20 | C21 | H10 | 109.5° | 109.5° |
| C20 | C21 | H11 | 109.5° | 109.5° |
| C18 | C16 | N04 | 111.4° | 108.1° |
| C16 | C18 | C19 | 105.1° | 107.6° |
| C16 | N04 | N05 | 105.6° | 108.5° |
| C18 | C19 | N05 | 106.2° | 107.6° |
| C18 | C19 | H26 | 126.9° | 126.2° |
| N04 | N05 | C19 | 111.7° | 108.2° |
| N04 | N05 | C20 | 119.5° | 125.9° |
| C19 | N05 | C20 | 128.8° | 125.9° |
| N05 | C19 | H26 | 126.9° | 126.2° |
| N05 | C20 | H7 | 109.8° | 109.5° |
| N05 | C20 | H8 | 109.8° | 109.5° |
| C08 | C09 | C10 | 120.7° | 119.8° |
| C09 | C08 | H23 | 118.9° | 119.9° |
| C09 | C10 | N03 | 103.6° | 109.5° |
| C09 | C10 | H1 | 110.9° | 109.5° |
| C09 | C10 | H2 | 110.9° | 109.5° |
| C10 | N03 | C12 | 127.9° | 126.4° |
| C10 | N03 | C14 | 125.5° | 126.5° |
| N03 | C10 | H1 | 110.9° | 109.5° |
| N03 | C10 | H2 | 110.9° | 109.4° |
| C12 | N03 | C14 | 103.8° | 107.2° |
| N03 | C12 | C13 | 125.5° | 125.6° |
| N03 | C12 | N02 | 108.3° | 108.7° |
| N03 | C14 | C15 | 104.5° | 106.8° |
| N03 | C14 | H25 | 127.7° | 126.5° |
| C13 | C12 | N02 | 125.6° | 125.6° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | N02 | C15 | 111.3° | 109.2° |
| C14 | C15 | N02 | 111.0° | 108.1° |
| C14 | C15 | H6 | 124.5° | 125.9° |
| C15 | C14 | H25 | 127.7° | 126.6° |
| N02 | C15 | H6 | 124.5° | 126.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C13 | H4 | 109.4° | 109.4° |
| H3 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.4° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H11 | 109.4° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 115.6° |
| H14 | C24 | H15 | 109.4° | 115.5° |
| H18 | C01 | H19 | 109.4° | 109.2° |
| H21 | C06 | H22 | 109.5° | 109.3° |
| H29 | C30 | H30 | 109.4° | 109.5° |
| H29 | C30 | H31 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C24 | C23 | H14 | 109.5° | 107.5° |
| C22 | C24 | C23 | H15 | 109.5° | 107.5° |
| C24 | C22 | C23 | H12 | 109.5° | 107.5° |
| C24 | C22 | C23 | H13 | 109.5° | 107.5° |
| C22 | C24 | C23 | C02 | 107.1° | 107.5° |
| C24 | C22 | H12 | H13 | 144.8° | 145.7° |
| C22 | C24 | H14 | H15 | 144.7° | 145.7° |
| C22 | C24 | C23 | H27 | 108.2° | 107.5° |
| C24 | C23 | C02 | H27 | 145.1° | 145.7° |
| C24 | C23 | C02 | C27 | 98.4° | 3.6° |
| C24 | C23 | C02 | N01 | 139.5° | 116.4° |
| C23 | C24 | H14 | H15 | 144.7° | 145.6° |
| C24 | C23 | C02 | H20 | 21.0° | 123.6° |
| N06 | C26 | C25 | H16 | 180.0° | 179.7° |
| N06 | C26 | C25 | C29 | 0.1° | 0.0° |
| C26 | N06 | C27 | C02 | 178.4° | 180.0° |
| C26 | N06 | C27 | C28 | 1.4° | 0.0° |
| N06 | C26 | C25 | H28 | 179.8° | 180.0° |
| C25 | C26 | N06 | C27 | 0.8° | 0.0° |
| C26 | C25 | C29 | H28 | 180.0° | 180.0° |
| C26 | C25 | C29 | C28 | 0.2° | 0.0° |
| C26 | C25 | C29 | C30 | 179.7° | 180.0° |
| N06 | C27 | C02 | C23 | 22.6° | 55.0° |
| N06 | C27 | C02 | C28 | 179.8° | 180.0° |
| N06 | C27 | C02 | N01 | 146.1° | 175.0° |
| N06 | C27 | C28 | C29 | 1.5° | 0.0° |
| C27 | N06 | C26 | H16 | 179.3° | 179.7° |
| N06 | C27 | C28 | H17 | 178.5° | 180.0° |
| N06 | C27 | C02 | H20 | 96.6° | 65.0° |
| C22 | C23 | C02 | H27 | 147.7° | 145.6° |
| C22 | C23 | C02 | C27 | 165.5° | 65.0° |
| C22 | C23 | C02 | N01 | 72.4° | 175.0° |
| C23 | C22 | H12 | H13 | 144.7° | 145.7° |
| C22 | C23 | C02 | H20 | 46.2° | 55.0° |
| C23 | C02 | C27 | N01 | 123.4° | 120.0° |
| C23 | C02 | C27 | H20 | 119.2° | 120.0° |
| C23 | C02 | C27 | C28 | 157.6° | 125.0° |
| C23 | C02 | N01 | H20 | 117.9° | 120.0° |
| C23 | C02 | N01 | C01 | 53.1° | 120.0° |
| C23 | C02 | N01 | C03 | 130.4° | 60.0° |
| C02 | C23 | C22 | H12 | 146.1° | 145.0° |
| C02 | C23 | C22 | H13 | 5.0° | 0.0° |
| C02 | C23 | C24 | H14 | 2.4° | 0.0° |
| C02 | C23 | C24 | H15 | 143.5° | 145.0° |
| C25 | C29 | C28 | C27 | 0.8° | 0.0° |
| C25 | C29 | C28 | C30 | 179.5° | 180.0° |
| C29 | C25 | C26 | H16 | 179.9° | 179.7° |
| C25 | C29 | C28 | H17 | 179.1° | 180.0° |
| C25 | C29 | C30 | H29 | 89.8° | 90.0° |
| C25 | C29 | C30 | H30 | 150.3° | 150.0° |
| C25 | C29 | C30 | H31 | 30.2° | 30.0° |
| C27 | C02 | N01 | H20 | 116.8° | 120.0° |
| C02 | C27 | C28 | C29 | 178.3° | 180.0° |
| C27 | C02 | N01 | C01 | 72.2° | 120.0° |
| C27 | C02 | N01 | C03 | 104.3° | 60.0° |
| C02 | C27 | C28 | H17 | 1.7° | 0.1° |
| C27 | C02 | C23 | H27 | 46.8° | 149.3° |
| C28 | C27 | C02 | N01 | 34.1° | 5.0° |
| C27 | C28 | C29 | H17 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 179.7° | 179.9° |
| C28 | C27 | C02 | H20 | 83.2° | 115.0° |
| C02 | N01 | C01 | C03 | 176.4° | 180.0° |
| C02 | N01 | C01 | C06 | 143.6° | 139.9° |
| C02 | N01 | C03 | O01 | 1.9° | 7.9° |
| C02 | N01 | C03 | C04 | 179.5° | 172.1° |
| C02 | N01 | C01 | H18 | 96.4° | 19.5° |
| C02 | N01 | C01 | H19 | 23.6° | 99.8° |
| N01 | C02 | C23 | H27 | 75.3° | 29.3° |
| C28 | C29 | C25 | H28 | 179.8° | 180.0° |
| C28 | C29 | C30 | H29 | 89.7° | 90.0° |
| C28 | C29 | C30 | H30 | 30.3° | 30.1° |
| C28 | C29 | C30 | H31 | 150.3° | 150.0° |
| C30 | C29 | C28 | H17 | 0.4° | 0.0° |
| C30 | C29 | C25 | H28 | 0.3° | 0.0° |
| C29 | C30 | H29 | H30 | 120.0° | 120.1° |
| C29 | C30 | H29 | H31 | 120.0° | 120.0° |
| C29 | C30 | H30 | H31 | 120.0° | 120.0° |
| N01 | C01 | C06 | H18 | 120.0° | 120.4° |
| N01 | C01 | C06 | H19 | 120.0° | 120.3° |
| C01 | N01 | C03 | O01 | 178.4° | 172.1° |
| C01 | N01 | C03 | C04 | 3.0° | 7.9° |
| N01 | C01 | C06 | C05 | 52.9° | 50.5° |
| N01 | C01 | H18 | H19 | 120.0° | 119.2° |
| C01 | N01 | C02 | H20 | 171.0° | 0.0° |
| N01 | C01 | C06 | H21 | 172.7° | 170.6° |
| N01 | C01 | C06 | H22 | 66.9° | 69.7° |
| C03 | N01 | C01 | C06 | 40.1° | 40.1° |
| N01 | C03 | O01 | C04 | 178.5° | 180.0° |
| N01 | C03 | C04 | C05 | 18.9° | 12.6° |
| N01 | C03 | C04 | C11 | 161.4° | 167.2° |
| C03 | N01 | C01 | H18 | 80.0° | 160.6° |
| C03 | N01 | C01 | H19 | 160.1° | 80.2° |
| C03 | N01 | C02 | H20 | 12.5° | 180.0° |
| C01 | C06 | C05 | H21 | 119.8° | 120.1° |
| C01 | C06 | C05 | H22 | 119.8° | 120.2° |
| C01 | C06 | C05 | C04 | 35.7° | 33.5° |
| C01 | C06 | C05 | C07 | 143.6° | 147.6° |
| C06 | C01 | H18 | H19 | 120.0° | 119.3° |
| C01 | C06 | H21 | H22 | 120.7° | 119.7° |
| O01 | C03 | C04 | C05 | 159.7° | 167.4° |
| O01 | C03 | C04 | C11 | 20.0° | 12.8° |
| C03 | C04 | C05 | C06 | 0.4° | 2.1° |
| C03 | C04 | C05 | C11 | 179.6° | 179.8° |
| C03 | C04 | C05 | C07 | 179.6° | 178.9° |
| C03 | C04 | C11 | C09 | 179.8° | 179.3° |
| C03 | C04 | C11 | H24 | 0.2° | 0.8° |
| C06 | C05 | C04 | C07 | 179.3° | 178.9° |
| C06 | C05 | C04 | C11 | 180.0° | 178.1° |
| C06 | C05 | C07 | C18 | 1.5° | 1.7° |
| C06 | C05 | C07 | C08 | 179.6° | 178.3° |
| C05 | C06 | C01 | H18 | 67.1° | 170.9° |
| C05 | C06 | C01 | H19 | 172.9° | 69.8° |
| C05 | C06 | H21 | H22 | 120.7° | 119.7° |
| C05 | C04 | C11 | C09 | 0.2° | 0.5° |
| C04 | C05 | C07 | C18 | 179.2° | 179.4° |
| C04 | C05 | C07 | C08 | 1.1° | 0.6° |
| C04 | C05 | C06 | H21 | 155.5° | 153.6° |
| C04 | C05 | C06 | H22 | 84.1° | 86.8° |
| C05 | C04 | C11 | H24 | 179.8° | 179.4° |
| C11 | C04 | C05 | C07 | 0.7° | 0.9° |
| C04 | C11 | C09 | H24 | 180.0° | 180.0° |
| C04 | C11 | C09 | C08 | 0.1° | 0.1° |
| C04 | C11 | C09 | C10 | 179.3° | 179.9° |
| C05 | C07 | C18 | C08 | 178.1° | 180.0° |
| C05 | C07 | C18 | C16 | 94.1° | 69.1° |
| C05 | C07 | C18 | C19 | 88.2° | 110.9° |
| C05 | C07 | C08 | C09 | 1.0° | 0.0° |
| C07 | C05 | C06 | H21 | 23.8° | 27.5° |
| C07 | C05 | C06 | H22 | 96.6° | 92.2° |
| C05 | C07 | C08 | H23 | 179.0° | 180.0° |
| F01 | C17 | F02 | C16 | 123.2° | 120.0° |
| F01 | C17 | F02 | F03 | 119.3° | 120.0° |
| F01 | C17 | C16 | F03 | 123.8° | 120.0° |
| F01 | C17 | C16 | C18 | 44.9° | 127.5° |
| F01 | C17 | C16 | N04 | 133.2° | 52.2° |
| F02 | C17 | C16 | F03 | 120.1° | 120.0° |
| F02 | C17 | C16 | C18 | 161.0° | 7.5° |
| F02 | C17 | C16 | N04 | 17.1° | 172.2° |
| C11 | C09 | C08 | C07 | 0.5° | 0.3° |
| C11 | C09 | C08 | C10 | 179.4° | 180.0° |
| C11 | C09 | C10 | N03 | 83.7° | 90.0° |
| C11 | C09 | C10 | H1 | 157.3° | 30.0° |
| C11 | C09 | C10 | H2 | 35.4° | 150.0° |
| C11 | C09 | C08 | H23 | 179.5° | 179.7° |
| C17 | C16 | C18 | C07 | 2.7° | 0.0° |
| C17 | C16 | C18 | N04 | 178.3° | 179.7° |
| C17 | C16 | C18 | C19 | 179.1° | 180.0° |
| C17 | C16 | N04 | N05 | 179.2° | 179.9° |
| F03 | C17 | C16 | C18 | 78.9° | 112.5° |
| F03 | C17 | C16 | N04 | 103.0° | 67.8° |
| C07 | C18 | C16 | C19 | 178.2° | 180.0° |
| C07 | C18 | C16 | N04 | 179.0° | 179.7° |
| C07 | C18 | C19 | N05 | 178.4° | 180.0° |
| C18 | C07 | C08 | C09 | 179.2° | 180.0° |
| C18 | C07 | C08 | H23 | 0.8° | 0.0° |
| C07 | C18 | C19 | H26 | 1.7° | 0.0° |
| C08 | C07 | C18 | C16 | 84.1° | 110.9° |
| C08 | C07 | C18 | C19 | 93.7° | 69.1° |
| C07 | C08 | C09 | H23 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 178.9° | 179.6° |
| C21 | C20 | N05 | N04 | 153.2° | 54.7° |
| C21 | C20 | N05 | C19 | 26.5° | 125.0° |
| C21 | C20 | N05 | H7 | 119.8° | 120.0° |
| C21 | C20 | N05 | H8 | 119.8° | 120.0° |
| C21 | C20 | H7 | H8 | 120.6° | 120.0° |
| C20 | C21 | H9 | H10 | 120.0° | 120.0° |
| C20 | C21 | H9 | H11 | 120.0° | 120.0° |
| C20 | C21 | H10 | H11 | 120.0° | 120.0° |
| C18 | C16 | N04 | N05 | 0.9° | 0.4° |
| C16 | C18 | C19 | N05 | 0.3° | 0.0° |
| C16 | C18 | C19 | H26 | 179.7° | 180.0° |
| N04 | C16 | C18 | C19 | 0.7° | 0.2° |
| C16 | N04 | N05 | C19 | 0.7° | 0.4° |
| C16 | N04 | N05 | C20 | 179.5° | 179.9° |
| C18 | C19 | N05 | N04 | 0.3° | 0.3° |
| C18 | C19 | N05 | H26 | 180.0° | 180.0° |
| C18 | C19 | N05 | C20 | 180.0° | 180.0° |
| N04 | N05 | C19 | C20 | 179.7° | 179.7° |
| N04 | N05 | C20 | H7 | 87.0° | 174.7° |
| N04 | N05 | C20 | H8 | 33.4° | 65.3° |
| N04 | N05 | C19 | H26 | 179.7° | 179.8° |
| C19 | N05 | C20 | H7 | 93.3° | 5.0° |
| C19 | N05 | C20 | H8 | 146.3° | 115.0° |
| N05 | C20 | H7 | H8 | 120.6° | 120.0° |
| N05 | C20 | C21 | H9 | 180.0° | 60.0° |
| N05 | C20 | C21 | H10 | 60.0° | 180.0° |
| N05 | C20 | C21 | H11 | 60.0° | 60.0° |
| C20 | N05 | C19 | H26 | 0.0° | 0.1° |
| C08 | C09 | C10 | N03 | 95.7° | 90.0° |
| C08 | C09 | C10 | H1 | 23.3° | 150.0° |
| C08 | C09 | C10 | H2 | 145.2° | 30.0° |
| C08 | C09 | C11 | H24 | 179.9° | 180.0° |
| C09 | C10 | N03 | H1 | 119.0° | 120.0° |
| C09 | C10 | N03 | H2 | 119.0° | 120.0° |
| C09 | C10 | N03 | C12 | 134.6° | 85.1° |
| C09 | C10 | N03 | C14 | 67.6° | 95.0° |
| C09 | C10 | H1 | H2 | 122.7° | 120.0° |
| C10 | C09 | C08 | H23 | 1.1° | 0.3° |
| C10 | C09 | C11 | H24 | 0.7° | 0.0° |
| C10 | N03 | C12 | C14 | 161.6° | 179.9° |
| C10 | N03 | C12 | C13 | 16.2° | 0.0° |
| C10 | N03 | C12 | N02 | 171.9° | 180.0° |
| C10 | N03 | C14 | C15 | 172.5° | 179.9° |
| N03 | C10 | H1 | H2 | 122.7° | 120.0° |
| C10 | N03 | C14 | H25 | 7.6° | 0.1° |
| N03 | C12 | C13 | N02 | 170.5° | 179.9° |
| C12 | N03 | C14 | C15 | 10.3° | 0.2° |
| N03 | C12 | N02 | C15 | 6.4° | 0.1° |
| C12 | N03 | C10 | H1 | 106.4° | 35.0° |
| C12 | N03 | C10 | H2 | 15.5° | 154.9° |
| N03 | C12 | C13 | H3 | 170.6° | 90.1° |
| N03 | C12 | C13 | H4 | 69.4° | 29.9° |
| N03 | C12 | C13 | H5 | 50.5° | 149.9° |
| C12 | N03 | C14 | H25 | 169.8° | 179.8° |
| C14 | N03 | C12 | C13 | 177.8° | 179.9° |
| C14 | N03 | C12 | N02 | 10.3° | 0.1° |
| N03 | C14 | C15 | H25 | 180.0° | 180.0° |
| N03 | C14 | C15 | N02 | 7.2° | 0.2° |
| C14 | N03 | C10 | H1 | 51.5° | 145.0° |
| C14 | N03 | C10 | H2 | 173.4° | 25.0° |
| N03 | C14 | C15 | H6 | 172.8° | 180.0° |
| C13 | C12 | N02 | C15 | 178.3° | 180.0° |
| C12 | C13 | H3 | H4 | 120.0° | 120.1° |
| C12 | C13 | H3 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C12 | N02 | C15 | C14 | 0.7° | 0.2° |
| N02 | C12 | C13 | H3 | 0.0° | 90.0° |
| N02 | C12 | C13 | H4 | 120.0° | 150.0° |
| N02 | C12 | C13 | H5 | 120.0° | 30.0° |
| C12 | N02 | C15 | H6 | 179.3° | 179.9° |
| C14 | C15 | N02 | H6 | 180.0° | 179.8° |
| N02 | C15 | C14 | H25 | 172.8° | 179.8° |
| H3 | C13 | H4 | H5 | 120.0° | 119.9° |
| H6 | C15 | C14 | H25 | 7.2° | 0.0° |
| H7 | C20 | C21 | H9 | 60.2° | 180.0° |
| H7 | C20 | C21 | H10 | 59.8° | 59.9° |
| H7 | C20 | C21 | H11 | 179.8° | 60.0° |
| H8 | C20 | C21 | H9 | 60.1° | 60.0° |
| H8 | C20 | C21 | H10 | 179.8° | 60.0° |
| H8 | C20 | C21 | H11 | 59.8° | 180.0° |
| H9 | C21 | H10 | H11 | 120.0° | 120.0° |
| H12 | C22 | C24 | H14 | 141.1° | 145.0° |
| H12 | C22 | C24 | H15 | 0.0° | 0.0° |
| H12 | C22 | C23 | H27 | 1.3° | 0.1° |
| H13 | C22 | C24 | H14 | 0.0° | 0.1° |
| H13 | C22 | C24 | H15 | 141.1° | 145.1° |
| H13 | C22 | C23 | H27 | 142.3° | 145.0° |
| H14 | C24 | C23 | H27 | 142.3° | 145.0° |
| H15 | C24 | C23 | H27 | 1.3° | 0.1° |
| H16 | C26 | C25 | H28 | 0.1° | 0.3° |
| H18 | C01 | C06 | H21 | 52.6° | 69.0° |
| H18 | C01 | C06 | H22 | 173.1° | 50.7° |
| H19 | C01 | C06 | H21 | 67.3° | 50.4° |
| H19 | C01 | C06 | H22 | 53.1° | 170.0° |
| H20 | C02 | C23 | H27 | 166.1° | 90.6° |
| H29 | C30 | H30 | H31 | 120.0° | 119.9° |
