I6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| O30 | C29 | doub | 1.21Å | 1.20Å | |
| N24 | C23 | doub | 1.31Å | 1.34Å | Aromatic |
| N24 | N25 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C23 | sing | 1.48Å | 1.51Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | N03 | sing | 1.47Å | 1.38Å | |
| C26 | N25 | sing | 1.36Å | 1.35Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.38Å | Aromatic |
| C29 | C31 | sing | 1.51Å | 1.53Å | |
| C29 | N28 | sing | 1.35Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | N03 | sing | 1.47Å | 1.29Å | |
| C23 | C37 | sing | 1.41Å | 1.42Å | Aromatic |
| N25 | C35 | sing | 1.37Å | 1.31Å | Aromatic |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C16 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C14 | sing | 1.48Å | 1.52Å | |
| C27 | N28 | sing | 1.40Å | 1.43Å | |
| C27 | N34 | sing | 1.34Å | 1.32Å | Aromatic |
| C05 | N06 | sing | 1.47Å | 1.39Å | |
| N03 | C44 | sing | 1.47Å | 1.37Å | |
| C35 | N34 | doub | 1.33Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.36Å | 1.37Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.43Å | |
| N13 | C12 | sing | 1.40Å | 1.45Å | |
| N06 | C07 | sing | 1.47Å | 1.29Å | |
| N06 | C43 | sing | 1.47Å | 1.37Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C14 | O15 | doub | 1.22Å | 1.19Å | |
| C38 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C39 | sing | 1.51Å | 1.53Å | |
| C39 | F40 | sing | 1.40Å | 1.35Å | |
| C39 | F41 | sing | 1.40Å | 1.36Å | |
| C39 | F42 | sing | 1.40Å | 1.36Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| N13 | H35 | sing | 0.97Å | 1.00Å | |
| N28 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 121.7° | 119.9° |
| C20 | C19 | C21 | 119.4° | 119.9° |
| C19 | C20 | H16 | 109.5° | 109.4° |
| C19 | C20 | H17 | 109.5° | 109.5° |
| C19 | C20 | H18 | 109.5° | 109.5° |
| C19 | C18 | C17 | 120.0° | 120.2° |
| C18 | C19 | C21 | 118.9° | 120.2° |
| C19 | C18 | H15 | 120.0° | 119.9° |
| C18 | C17 | C16 | 119.2° | 120.1° |
| C18 | C17 | H14 | 120.4° | 119.9° |
| C17 | C18 | H15 | 120.0° | 119.8° |
| C19 | C21 | C23 | 122.8° | 120.1° |
| C19 | C21 | C22 | 121.7° | 119.9° |
| C17 | C16 | C22 | 121.0° | 119.9° |
| C17 | C16 | C14 | 121.4° | 120.1° |
| C16 | C17 | H14 | 120.4° | 120.0° |
| C31 | C32 | C33 | 59.8° | 60.0° |
| C32 | C31 | C29 | 117.8° | 117.5° |
| C32 | C31 | C33 | 60.1° | 60.0° |
| C32 | C31 | H21 | 117.5° | 117.5° |
| C31 | C32 | H22 | 120.0° | 117.5° |
| C31 | C32 | H23 | 120.0° | 117.5° |
| C32 | C33 | C31 | 60.1° | 60.0° |
| C33 | C32 | H22 | 120.0° | 117.5° |
| C33 | C32 | H23 | 120.0° | 117.5° |
| C32 | C33 | H24 | 120.0° | 117.5° |
| C32 | C33 | H25 | 120.0° | 117.5° |
| O30 | C29 | C31 | 124.8° | 120.0° |
| O30 | C29 | N28 | 122.2° | 120.0° |
| C23 | N24 | N25 | 114.4° | 120.6° |
| N24 | C23 | C21 | 120.3° | 119.7° |
| N24 | C23 | C37 | 123.9° | 120.7° |
| N24 | N25 | C26 | 126.4° | 132.8° |
| N24 | N25 | C35 | 122.8° | 120.0° |
| C23 | C21 | C22 | 115.5° | 120.0° |
| C21 | C23 | C37 | 115.8° | 119.6° |
| C21 | C22 | C16 | 119.1° | 119.7° |
| C21 | C22 | H19 | 120.4° | 120.1° |
| C05 | C04 | N03 | 111.8° | 109.4° |
| C04 | C05 | N06 | 112.5° | 109.4° |
| C05 | C04 | H6 | 108.9° | 109.5° |
| C05 | C04 | H7 | 108.9° | 109.5° |
| C04 | C05 | H8 | 108.7° | 109.5° |
| C04 | C05 | H9 | 108.7° | 109.5° |
| C04 | N03 | C02 | 111.3° | 111.0° |
| C04 | N03 | C44 | 111.6° | 110.9° |
| N03 | C04 | H6 | 108.9° | 109.5° |
| N03 | C04 | H7 | 108.9° | 109.5° |
| N25 | C26 | C27 | 103.4° | 107.1° |
| C26 | N25 | C35 | 110.8° | 107.2° |
| N25 | C26 | H20 | 128.3° | 126.5° |
| C26 | C27 | N28 | 128.7° | 125.8° |
| C26 | C27 | N34 | 111.7° | 108.4° |
| C27 | C26 | H20 | 128.3° | 126.4° |
| C31 | C29 | N28 | 113.0° | 120.0° |
| C29 | C31 | C33 | 113.9° | 117.5° |
| C29 | C31 | H21 | 117.4° | 115.5° |
| C29 | N28 | C27 | 122.5° | 120.0° |
| C29 | N28 | H36 | 118.7° | 120.0° |
| C01 | C02 | N03 | 110.5° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.2° | 109.4° |
| C01 | C02 | H5 | 109.2° | 109.5° |
| C02 | N03 | C44 | 109.9° | 110.9° |
| N03 | C02 | H4 | 109.2° | 109.5° |
| N03 | C02 | H5 | 109.2° | 109.5° |
| C23 | C37 | C36 | 120.0° | 120.1° |
| C23 | C37 | H27 | 120.0° | 120.0° |
| N25 | C35 | N34 | 108.8° | 108.1° |
| N25 | C35 | C36 | 123.7° | 119.4° |
| C33 | C31 | H21 | 117.6° | 117.5° |
| C31 | C33 | H24 | 120.0° | 117.5° |
| C31 | C33 | H25 | 120.0° | 117.5° |
| C22 | C16 | C14 | 117.5° | 120.0° |
| C16 | C22 | H19 | 120.4° | 120.2° |
| C16 | C14 | N13 | 115.9° | 120.0° |
| C16 | C14 | O15 | 120.6° | 120.0° |
| N28 | C27 | N34 | 119.6° | 125.8° |
| C27 | N28 | H36 | 118.8° | 120.0° |
| C27 | N34 | C35 | 105.3° | 109.1° |
| C05 | N06 | C07 | 110.0° | 111.0° |
| C05 | N06 | C43 | 111.7° | 110.9° |
| N06 | C05 | H8 | 108.7° | 109.5° |
| N06 | C05 | H9 | 108.7° | 109.5° |
| N03 | C44 | C43 | 110.3° | 109.3° |
| N03 | C44 | H31 | 109.3° | 109.5° |
| N03 | C44 | H32 | 109.3° | 109.6° |
| N34 | C35 | C36 | 127.5° | 132.5° |
| C35 | C36 | C37 | 115.2° | 119.3° |
| C35 | C36 | H26 | 122.4° | 120.4° |
| C37 | C36 | H26 | 122.4° | 120.3° |
| C36 | C37 | H27 | 120.0° | 119.9° |
| C14 | N13 | C12 | 124.9° | 120.0° |
| N13 | C14 | O15 | 123.5° | 120.0° |
| C14 | N13 | H35 | 117.5° | 120.0° |
| N13 | C12 | C38 | 117.3° | 120.1° |
| N13 | C12 | C11 | 120.9° | 120.1° |
| C12 | N13 | H35 | 117.5° | 120.0° |
| C07 | N06 | C43 | 107.1° | 111.0° |
| N06 | C07 | C08 | 112.3° | 109.5° |
| N06 | C07 | H10 | 108.7° | 109.5° |
| N06 | C07 | H11 | 108.8° | 109.5° |
| N06 | C43 | C44 | 113.3° | 109.4° |
| N06 | C43 | H29 | 108.5° | 109.5° |
| N06 | C43 | H30 | 108.5° | 109.5° |
| C44 | C43 | H29 | 108.5° | 109.5° |
| C44 | C43 | H30 | 108.5° | 109.5° |
| C43 | C44 | H31 | 109.3° | 109.5° |
| C43 | C44 | H32 | 109.2° | 109.5° |
| C12 | C38 | C08 | 119.9° | 119.9° |
| C38 | C12 | C11 | 121.5° | 119.8° |
| C12 | C38 | H28 | 120.1° | 120.1° |
| C38 | C08 | C07 | 118.3° | 120.0° |
| C38 | C08 | C09 | 119.2° | 120.1° |
| C08 | C38 | H28 | 120.1° | 120.0° |
| C07 | C08 | C09 | 122.6° | 120.0° |
| C08 | C07 | H10 | 108.8° | 109.5° |
| C08 | C07 | H11 | 108.8° | 109.5° |
| C12 | C11 | C10 | 118.5° | 120.0° |
| C12 | C11 | H13 | 120.7° | 120.0° |
| C08 | C09 | C10 | 120.4° | 120.1° |
| C08 | C09 | H12 | 119.8° | 119.9° |
| C11 | C10 | C09 | 120.5° | 120.0° |
| C11 | C10 | C39 | 118.4° | 120.0° |
| C10 | C11 | H13 | 120.8° | 120.0° |
| C09 | C10 | C39 | 121.1° | 120.0° |
| C10 | C09 | H12 | 119.8° | 120.0° |
| C10 | C39 | F40 | 112.2° | 109.5° |
| C10 | C39 | F41 | 110.0° | 109.5° |
| C10 | C39 | F42 | 110.7° | 109.5° |
| F40 | C39 | F41 | 107.3° | 109.4° |
| F40 | C39 | F42 | 107.6° | 109.4° |
| F41 | C39 | F42 | 108.9° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.4° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 109.5° |
| H16 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.4° |
| H22 | C32 | H23 | 109.5° | 115.6° |
| H24 | C33 | H25 | 109.5° | 115.5° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H31 | C44 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | C21 | 179.2° | 180.0° |
| C20 | C19 | C18 | C17 | 179.1° | 180.0° |
| C20 | C19 | C21 | C23 | 0.5° | 0.0° |
| C20 | C19 | C21 | C22 | 179.8° | 180.0° |
| C20 | C19 | C18 | H15 | 0.9° | 0.0° |
| C19 | C20 | H16 | H17 | 120.0° | 120.0° |
| C19 | C20 | H16 | H18 | 120.0° | 120.0° |
| C19 | C20 | H17 | H18 | 120.0° | 120.0° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.9° | 0.1° |
| C18 | C19 | C21 | C23 | 178.7° | 179.9° |
| C18 | C19 | C21 | C22 | 0.6° | 0.0° |
| C19 | C18 | C17 | H14 | 178.1° | 180.0° |
| C18 | C19 | C20 | H16 | 89.6° | 95.3° |
| C18 | C19 | C20 | H17 | 150.5° | 144.8° |
| C18 | C19 | C20 | H18 | 30.4° | 24.8° |
| C17 | C18 | C19 | C21 | 0.1° | 0.0° |
| C18 | C17 | C16 | H14 | 180.0° | 179.9° |
| C18 | C17 | C16 | C22 | 3.1° | 0.1° |
| C18 | C17 | C16 | C14 | 178.5° | 179.8° |
| C19 | C21 | C23 | N24 | 70.0° | 115.0° |
| C19 | C21 | C23 | C22 | 179.3° | 179.9° |
| C19 | C21 | C23 | C37 | 111.1° | 65.4° |
| C19 | C21 | C22 | C16 | 0.6° | 0.0° |
| C21 | C19 | C18 | H15 | 179.9° | 180.0° |
| C21 | C19 | C20 | H16 | 89.6° | 84.8° |
| C21 | C19 | C20 | H17 | 30.4° | 35.2° |
| C21 | C19 | C20 | H18 | 150.4° | 155.2° |
| C19 | C21 | C22 | H19 | 179.4° | 179.8° |
| C17 | C16 | C22 | C21 | 2.5° | 0.1° |
| C17 | C16 | C22 | C14 | 175.5° | 179.7° |
| C17 | C16 | C14 | N13 | 1.8° | 0.3° |
| C17 | C16 | C14 | O15 | 179.8° | 179.7° |
| C16 | C17 | C18 | H15 | 178.1° | 180.0° |
| C17 | C16 | C22 | H19 | 177.5° | 179.7° |
| C31 | C32 | C33 | H22 | 109.4° | 107.5° |
| C31 | C32 | C33 | H23 | 109.4° | 107.5° |
| C32 | C31 | C29 | O30 | 32.5° | 68.6° |
| C32 | C31 | C29 | C33 | 67.5° | 68.6° |
| C32 | C31 | C29 | H21 | 149.4° | 145.7° |
| C32 | C31 | C29 | N28 | 146.0° | 111.4° |
| C32 | C31 | C33 | H21 | 107.5° | 107.5° |
| C31 | C32 | H22 | H23 | 144.8° | 145.7° |
| C31 | C32 | C33 | H24 | 109.5° | 107.5° |
| C31 | C32 | C33 | H25 | 109.5° | 107.5° |
| C33 | C32 | H22 | H23 | 144.9° | 145.7° |
| C32 | C33 | H24 | H25 | 144.7° | 145.7° |
| O30 | C29 | C31 | N28 | 178.6° | 180.0° |
| O30 | C29 | C31 | C33 | 34.9° | 0.0° |
| O30 | C29 | N28 | C27 | 3.2° | 0.0° |
| O30 | C29 | C31 | H21 | 178.1° | 145.7° |
| O30 | C29 | N28 | H36 | 176.8° | 179.9° |
| N24 | C23 | C21 | C37 | 178.9° | 179.7° |
| N24 | C23 | C21 | C22 | 110.7° | 65.0° |
| C23 | N24 | N25 | C26 | 179.9° | 180.0° |
| C23 | N24 | N25 | C35 | 1.2° | 0.0° |
| N24 | C23 | C37 | C36 | 1.7° | 0.3° |
| N24 | C23 | C37 | H27 | 178.3° | 179.8° |
| N25 | N24 | C23 | C21 | 179.7° | 180.0° |
| N24 | N25 | C26 | C35 | 179.0° | 180.0° |
| N24 | N25 | C26 | C27 | 179.9° | 180.0° |
| N25 | N24 | C23 | C37 | 0.9° | 0.3° |
| N24 | N25 | C35 | N34 | 179.9° | 180.0° |
| N24 | N25 | C35 | C36 | 2.7° | 0.3° |
| N24 | N25 | C26 | H20 | 0.1° | 0.1° |
| C23 | C21 | C22 | C16 | 179.9° | 179.9° |
| C21 | C23 | C37 | C36 | 179.4° | 180.0° |
| C23 | C21 | C22 | H19 | 0.1° | 0.3° |
| C21 | C23 | C37 | H27 | 0.6° | 0.1° |
| C22 | C21 | C23 | C37 | 68.2° | 114.7° |
| C21 | C22 | C16 | H19 | 180.0° | 179.8° |
| C21 | C22 | C16 | C14 | 178.0° | 179.7° |
| C05 | C04 | N03 | H6 | 120.4° | 120.0° |
| C05 | C04 | N03 | H7 | 120.3° | 119.9° |
| C05 | C04 | N03 | C02 | 178.6° | 176.8° |
| C04 | C05 | N06 | H8 | 120.5° | 120.0° |
| C04 | C05 | N06 | H9 | 120.5° | 120.0° |
| C05 | C04 | N03 | C44 | 55.5° | 59.3° |
| C04 | C05 | N06 | C07 | 168.6° | 176.8° |
| C04 | C05 | N06 | C43 | 49.8° | 59.3° |
| C05 | C04 | H6 | H7 | 118.9° | 120.0° |
| C04 | C05 | H8 | H9 | 118.6° | 120.1° |
| C04 | N03 | C02 | C01 | 125.4° | 170.0° |
| C04 | N03 | C02 | C44 | 124.1° | 123.8° |
| N03 | C04 | C05 | N06 | 51.9° | 58.4° |
| C04 | N03 | C44 | C43 | 56.3° | 59.3° |
| C04 | N03 | C02 | H4 | 114.5° | 70.0° |
| C04 | N03 | C02 | H5 | 5.2° | 50.0° |
| N03 | C04 | H6 | H7 | 119.0° | 120.1° |
| N03 | C04 | C05 | H8 | 172.3° | 178.4° |
| N03 | C04 | C05 | H9 | 68.6° | 61.6° |
| C04 | N03 | C44 | H31 | 176.4° | 60.6° |
| C04 | N03 | C44 | H32 | 63.8° | 179.3° |
| N25 | C26 | C27 | H20 | 180.0° | 180.0° |
| N25 | C26 | C27 | N28 | 177.6° | 180.0° |
| N25 | C26 | C27 | N34 | 0.5° | 0.0° |
| C26 | N25 | C35 | N34 | 1.1° | 0.0° |
| C26 | N25 | C35 | C36 | 178.3° | 179.7° |
| C26 | C27 | N28 | C29 | 3.6° | 0.0° |
| C27 | C26 | N25 | C35 | 0.9° | 0.0° |
| C26 | C27 | N28 | N34 | 177.9° | 180.0° |
| C26 | C27 | N34 | C35 | 0.2° | 0.0° |
| C26 | C27 | N28 | H36 | 176.4° | 180.0° |
| C29 | C31 | C33 | H21 | 143.0° | 145.0° |
| C31 | C29 | N28 | C27 | 178.2° | 180.0° |
| C29 | C31 | C32 | H22 | 6.4° | 0.0° |
| C29 | C31 | C32 | H23 | 147.6° | 145.0° |
| C29 | C31 | C33 | H24 | 0.0° | 145.0° |
| C29 | C31 | C33 | H25 | 141.0° | 0.0° |
| C31 | C29 | N28 | H36 | 1.8° | 0.0° |
| N28 | C29 | C31 | C33 | 146.5° | 180.0° |
| C29 | N28 | C27 | H36 | 180.0° | 179.9° |
| C29 | N28 | C27 | N34 | 174.3° | 180.0° |
| N28 | C29 | C31 | H21 | 3.4° | 34.3° |
| C01 | C02 | N03 | H4 | 120.1° | 120.0° |
| C01 | C02 | N03 | H5 | 120.2° | 120.0° |
| C01 | C02 | N03 | C44 | 110.5° | 66.2° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | H4 | H5 | 119.6° | 120.0° |
| C02 | N03 | C44 | C43 | 179.7° | 176.8° |
| N03 | C02 | C01 | H1 | 180.0° | 60.0° |
| N03 | C02 | C01 | H2 | 60.0° | 60.0° |
| N03 | C02 | C01 | H3 | 60.0° | 180.0° |
| N03 | C02 | H4 | H5 | 119.5° | 120.0° |
| C02 | N03 | C04 | H6 | 61.0° | 56.8° |
| C02 | N03 | C04 | H7 | 58.3° | 63.2° |
| C02 | N03 | C44 | H31 | 59.6° | 63.3° |
| C02 | N03 | C44 | H32 | 60.1° | 56.8° |
| C23 | C37 | C36 | C35 | 0.3° | 0.0° |
| C23 | C37 | C36 | H27 | 180.0° | 179.9° |
| C23 | C37 | C36 | H26 | 179.7° | 179.9° |
| N25 | C35 | N34 | C27 | 0.8° | 0.0° |
| N25 | C35 | N34 | C36 | 177.1° | 179.7° |
| N25 | C35 | C36 | C37 | 1.8° | 0.3° |
| C35 | N25 | C26 | H20 | 179.0° | 179.9° |
| N25 | C35 | C36 | H26 | 178.2° | 179.6° |
| C31 | C33 | H24 | H25 | 144.6° | 145.7° |
| C22 | C16 | C14 | N13 | 173.7° | 180.0° |
| C22 | C16 | C14 | O15 | 4.6° | 0.0° |
| C22 | C16 | C17 | H14 | 176.9° | 180.0° |
| C16 | C14 | N13 | O15 | 178.3° | 180.0° |
| C16 | C14 | N13 | C12 | 175.1° | 175.0° |
| C14 | C16 | C17 | H14 | 1.5° | 0.3° |
| C14 | C16 | C22 | H19 | 2.0° | 0.1° |
| C16 | C14 | N13 | H35 | 4.9° | 5.1° |
| N28 | C27 | N34 | C35 | 178.4° | 180.0° |
| N28 | C27 | C26 | H20 | 2.4° | 0.1° |
| C27 | N34 | C35 | C36 | 177.8° | 179.7° |
| N34 | C27 | C26 | H20 | 179.5° | 179.9° |
| N34 | C27 | N28 | H36 | 5.7° | 0.1° |
| C05 | N06 | C07 | C43 | 121.6° | 123.8° |
| C05 | N06 | C43 | C44 | 51.9° | 59.3° |
| C05 | N06 | C07 | C08 | 162.1° | 170.0° |
| N06 | C05 | C04 | H6 | 172.2° | 178.4° |
| N06 | C05 | C04 | H7 | 68.5° | 61.6° |
| N06 | C05 | H8 | H9 | 118.6° | 120.0° |
| C05 | N06 | C07 | H10 | 41.7° | 70.0° |
| C05 | N06 | C07 | H11 | 77.4° | 50.0° |
| C05 | N06 | C43 | H29 | 172.5° | 60.7° |
| C05 | N06 | C43 | H30 | 68.6° | 179.3° |
| N03 | C44 | C43 | N06 | 55.2° | 58.4° |
| N03 | C44 | C43 | H31 | 120.1° | 120.0° |
| N03 | C44 | C43 | H32 | 120.1° | 120.0° |
| C44 | N03 | C02 | H4 | 9.7° | 53.8° |
| C44 | N03 | C02 | H5 | 129.4° | 173.8° |
| C44 | N03 | C04 | H6 | 175.8° | 179.3° |
| C44 | N03 | C04 | H7 | 64.9° | 60.6° |
| N03 | C44 | C43 | H29 | 175.8° | 61.5° |
| N03 | C44 | C43 | H30 | 65.3° | 178.4° |
| N03 | C44 | H31 | H32 | 119.6° | 120.2° |
| N34 | C35 | C36 | C37 | 178.5° | 179.9° |
| N34 | C35 | C36 | H26 | 1.5° | 0.0° |
| C35 | C36 | C37 | H26 | 180.0° | 179.9° |
| C35 | C36 | C37 | H27 | 179.7° | 179.9° |
| C14 | N13 | C12 | H35 | 180.0° | 180.0° |
| C14 | N13 | C12 | C38 | 160.2° | 146.6° |
| C14 | N13 | C12 | C11 | 25.8° | 33.1° |
| C12 | N13 | C14 | O15 | 3.2° | 5.0° |
| N13 | C12 | C38 | C11 | 173.9° | 179.7° |
| N13 | C12 | C38 | C08 | 177.3° | 179.7° |
| N13 | C12 | C11 | C10 | 176.3° | 180.0° |
| N13 | C12 | C11 | H13 | 3.7° | 0.0° |
| N13 | C12 | C38 | H28 | 2.7° | 0.3° |
| C07 | N06 | C43 | C44 | 172.4° | 176.8° |
| N06 | C07 | C08 | C38 | 50.1° | 90.3° |
| N06 | C07 | C08 | H10 | 120.4° | 120.0° |
| N06 | C07 | C08 | H11 | 120.4° | 120.0° |
| N06 | C07 | C08 | C09 | 132.1° | 90.0° |
| C07 | N06 | C05 | H8 | 70.9° | 56.8° |
| C07 | N06 | C05 | H9 | 48.1° | 63.2° |
| N06 | C07 | H10 | H11 | 118.7° | 120.0° |
| C07 | N06 | C43 | H29 | 67.0° | 63.2° |
| C07 | N06 | C43 | H30 | 51.8° | 56.8° |
| N06 | C43 | C44 | H29 | 120.6° | 119.9° |
| N06 | C43 | C44 | H30 | 120.6° | 120.0° |
| C43 | N06 | C07 | C08 | 76.3° | 66.2° |
| C43 | N06 | C05 | H8 | 170.3° | 179.3° |
| C43 | N06 | C05 | H9 | 70.6° | 60.7° |
| C43 | N06 | C07 | H10 | 163.3° | 53.8° |
| C43 | N06 | C07 | H11 | 44.2° | 173.8° |
| N06 | C43 | H29 | H30 | 118.2° | 120.0° |
| N06 | C43 | C44 | H31 | 175.3° | 61.6° |
| N06 | C43 | C44 | H32 | 64.9° | 178.4° |
| C44 | C43 | H29 | H30 | 118.2° | 120.1° |
| C43 | C44 | H31 | H32 | 119.6° | 120.0° |
| O15 | C14 | N13 | H35 | 176.8° | 175.0° |
| C12 | C38 | C08 | H28 | 180.0° | 179.4° |
| C12 | C38 | C08 | C07 | 179.6° | 179.7° |
| C12 | C38 | C08 | C09 | 2.5° | 0.6° |
| C38 | C12 | C11 | C10 | 2.6° | 0.3° |
| C38 | C12 | C11 | H13 | 177.4° | 179.7° |
| C38 | C12 | N13 | H35 | 19.8° | 33.4° |
| C38 | C08 | C07 | C09 | 177.8° | 179.7° |
| C08 | C38 | C12 | C11 | 3.4° | 0.6° |
| C38 | C08 | C09 | C10 | 1.1° | 0.3° |
| C38 | C08 | C07 | H10 | 70.3° | 29.7° |
| C38 | C08 | C07 | H11 | 170.5° | 149.7° |
| C38 | C08 | C09 | H12 | 178.9° | 179.7° |
| C07 | C08 | C09 | C10 | 178.8° | 180.0° |
| C08 | C07 | H10 | H11 | 118.7° | 120.0° |
| C07 | C08 | C09 | H12 | 1.1° | 0.0° |
| C07 | C08 | C38 | H28 | 0.4° | 0.3° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 1.1° | 0.0° |
| C12 | C11 | C10 | C39 | 178.3° | 180.0° |
| C11 | C12 | C38 | H28 | 176.6° | 180.0° |
| C11 | C12 | N13 | H35 | 154.1° | 146.9° |
| C08 | C09 | C10 | C11 | 0.4° | 0.1° |
| C08 | C09 | C10 | H12 | 180.0° | 180.0° |
| C08 | C09 | C10 | C39 | 179.0° | 180.0° |
| C09 | C08 | C07 | H10 | 107.5° | 150.0° |
| C09 | C08 | C07 | H11 | 11.7° | 30.0° |
| C09 | C08 | C38 | H28 | 177.5° | 180.0° |
| C11 | C10 | C09 | C39 | 179.4° | 179.9° |
| C11 | C10 | C39 | F40 | 40.8° | 90.1° |
| C11 | C10 | C39 | F41 | 78.6° | 29.9° |
| C11 | C10 | C39 | F42 | 161.0° | 150.0° |
| C11 | C10 | C09 | H12 | 179.6° | 179.9° |
| C09 | C10 | C39 | F40 | 139.9° | 90.0° |
| C09 | C10 | C39 | F41 | 100.8° | 150.0° |
| C09 | C10 | C39 | F42 | 19.6° | 30.0° |
| C09 | C10 | C11 | H13 | 178.9° | 180.0° |
| C10 | C39 | F40 | F41 | 120.9° | 120.0° |
| C10 | C39 | F40 | F42 | 122.0° | 120.0° |
| C10 | C39 | F41 | F42 | 121.5° | 120.1° |
| C39 | C10 | C09 | H12 | 1.0° | 0.0° |
| C39 | C10 | C11 | H13 | 1.7° | 0.0° |
| F40 | C39 | F41 | F42 | 116.2° | 119.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 59.9° | 60.0° |
| H1 | C01 | C02 | H5 | 59.8° | 180.0° |
| H2 | C01 | C02 | H4 | 60.2° | 179.9° |
| H2 | C01 | C02 | H5 | 179.9° | 60.0° |
| H3 | C01 | C02 | H4 | 179.9° | 60.0° |
| H3 | C01 | C02 | H5 | 60.1° | 59.9° |
| H6 | C04 | C05 | H8 | 67.3° | 61.6° |
| H6 | C04 | C05 | H9 | 51.8° | 58.4° |
| H7 | C04 | C05 | H8 | 52.0° | 58.4° |
| H7 | C04 | C05 | H9 | 171.0° | 178.4° |
| H14 | C17 | C18 | H15 | 1.9° | 0.0° |
| H16 | C20 | H17 | H18 | 120.0° | 120.0° |
| H21 | C31 | C32 | H22 | 142.9° | 145.0° |
| H21 | C31 | C32 | H23 | 1.8° | 0.0° |
| H21 | C31 | C33 | H24 | 143.0° | 0.1° |
| H21 | C31 | C33 | H25 | 2.0° | 145.0° |
| H22 | C32 | C33 | H24 | 0.1° | 145.0° |
| H22 | C32 | C33 | H25 | 141.1° | 0.0° |
| H23 | C32 | C33 | H24 | 141.1° | 0.0° |
| H23 | C32 | C33 | H25 | 0.1° | 145.0° |
| H26 | C36 | C37 | H27 | 0.3° | 0.2° |
| H29 | C43 | C44 | H31 | 64.1° | 178.5° |
| H29 | C43 | C44 | H32 | 55.7° | 58.5° |
| H30 | C43 | C44 | H31 | 54.8° | 58.4° |
| H30 | C43 | C44 | H32 | 174.5° | 61.6° |
