MI6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | N11 | sing | 1.40Å | 1.35Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | CL4 | sing | 1.74Å | 1.73Å | |
| C3 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.50Å | 1.54Å | |
| C8 | C9 | sing | 1.50Å | 1.47Å | |
| C8 | C12 | sing | 1.53Å | 1.55Å | |
| C8 | C31 | sing | 1.53Å | 1.57Å | |
| C9 | O10 | doub | 1.21Å | 1.23Å | |
| C9 | N11 | sing | 1.35Å | 1.32Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | N18 | sing | 1.49Å | 1.47Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| N18 | C19 | sing | 1.49Å | 1.48Å | |
| N18 | HN18 | sing | 1.01Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C31 | sing | 1.55Å | 1.56Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C20 | N22 | sing | 1.35Å | 1.34Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.58Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | F34 | sing | 1.35Å | 1.35Å | |
| C33 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | CL36 | sing | 1.74Å | 1.73Å | |
| C35 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C24 | N25 | sing | 1.47Å | 1.54Å | |
| C26 | N25 | sing | 1.47Å | 1.54Å | |
| N25 | C30 | sing | 1.47Å | 1.54Å | |
| C29 | O28 | sing | 1.43Å | 1.54Å | |
| O28 | C27 | sing | 1.43Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C7 | 120.3° | 119.0° |
| C2 | C1 | N11 | 128.1° | 130.7° |
| C1 | C2 | C3 | 120.1° | 120.2° |
| C1 | C2 | H2 | 120.0° | 119.9° |
| C7 | C1 | N11 | 111.6° | 110.2° |
| C1 | C7 | C6 | 119.5° | 120.7° |
| C1 | C7 | C8 | 104.1° | 105.9° |
| C1 | N11 | C9 | 111.5° | 112.1° |
| C1 | N11 | HN11 | 124.3° | 123.9° |
| C3 | C2 | H2 | 119.9° | 119.9° |
| C2 | C3 | CL4 | 119.5° | 119.8° |
| C2 | C3 | C5 | 119.8° | 120.3° |
| CL4 | C3 | C5 | 120.7° | 119.9° |
| C3 | C5 | C6 | 120.7° | 119.9° |
| C3 | C5 | H5 | 119.6° | 120.1° |
| C6 | C5 | H5 | 119.6° | 120.1° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | C8 | 136.4° | 133.5° |
| C7 | C8 | C9 | 102.4° | 105.1° |
| C7 | C8 | C12 | 117.1° | 111.5° |
| C7 | C8 | C31 | 123.8° | 111.6° |
| C9 | C8 | C12 | 101.4° | 111.4° |
| C9 | C8 | C31 | 105.6° | 111.4° |
| C8 | C9 | O10 | 121.8° | 126.7° |
| C8 | C9 | N11 | 110.3° | 106.7° |
| C12 | C8 | C31 | 103.7° | 106.0° |
| C8 | C12 | C13 | 114.4° | 110.4° |
| C8 | C12 | N18 | 106.4° | 104.4° |
| C8 | C12 | H12 | 112.4° | 110.5° |
| C8 | C31 | C19 | 105.8° | 104.7° |
| C8 | C31 | C32 | 116.5° | 110.4° |
| C8 | C31 | H31 | 133.6° | 110.4° |
| O10 | C9 | N11 | 127.8° | 126.6° |
| C9 | N11 | HN11 | 124.3° | 123.9° |
| C13 | C12 | N18 | 119.0° | 110.4° |
| C13 | C12 | H12 | 97.4° | 110.4° |
| C12 | C13 | C14 | 120.1° | 109.4° |
| C12 | C13 | H13 | 106.1° | 109.5° |
| C12 | C13 | H13A | 106.1° | 109.5° |
| N18 | C12 | H12 | 106.9° | 110.6° |
| C12 | N18 | C19 | 109.4° | 104.3° |
| C12 | N18 | HN18 | 109.5° | 111.0° |
| C14 | C13 | H13 | 106.1° | 109.5° |
| C14 | C13 | H13A | 106.1° | 109.5° |
| C13 | C14 | C15 | 107.5° | 109.5° |
| C13 | C14 | C16 | 107.0° | 109.4° |
| C13 | C14 | C17 | 115.4° | 109.5° |
| H13 | C13 | H13A | 112.6° | 109.5° |
| C15 | C14 | C16 | 109.2° | 109.5° |
| C15 | C14 | C17 | 108.3° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.5° | 109.5° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C16 | C14 | C17 | 109.3° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.4° |
| C14 | C16 | H16A | 109.5° | 109.4° |
| C14 | C16 | H16B | 109.5° | 109.5° |
| C14 | C17 | H17 | 109.5° | 109.5° |
| C14 | C17 | H17A | 109.5° | 109.5° |
| C14 | C17 | H17B | 109.5° | 109.4° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.4° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| C19 | N18 | HN18 | 109.5° | 111.0° |
| N18 | C19 | C20 | 107.9° | 110.4° |
| N18 | C19 | C31 | 106.6° | 104.6° |
| N18 | C19 | H19 | 122.0° | 110.4° |
| C20 | C19 | C31 | 127.7° | 110.4° |
| C20 | C19 | H19 | 96.0° | 110.4° |
| C19 | C20 | O21 | 124.8° | 120.0° |
| C19 | C20 | N22 | 109.7° | 120.0° |
| C31 | C19 | H19 | 97.6° | 110.6° |
| C19 | C31 | C32 | 134.3° | 110.4° |
| C19 | C31 | H31 | 94.1° | 110.4° |
| O21 | C20 | N22 | 125.2° | 120.0° |
| C20 | N22 | C23 | 125.5° | 120.0° |
| C20 | N22 | HN22 | 117.2° | 120.0° |
| C23 | N22 | HN22 | 117.3° | 119.9° |
| N22 | C23 | C24 | 107.2° | 109.5° |
| N22 | C23 | H23 | 110.2° | 109.5° |
| N22 | C23 | H23A | 110.2° | 109.5° |
| C24 | C23 | H23 | 110.3° | 109.5° |
| C24 | C23 | H23A | 110.2° | 109.5° |
| C23 | C24 | H24 | 96.1° | 109.5° |
| C23 | C24 | H24A | 96.1° | 109.5° |
| C23 | C24 | N25 | 155.9° | 109.5° |
| H23 | C23 | H23A | 108.7° | 109.4° |
| H24 | C24 | H24A | 118.9° | 109.4° |
| H24 | C24 | N25 | 96.1° | 109.5° |
| H24A | C24 | N25 | 96.1° | 109.4° |
| C32 | C31 | H31 | 69.3° | 110.4° |
| C31 | C32 | C33 | 133.9° | 120.0° |
| C31 | C32 | C39 | 107.9° | 120.0° |
| C33 | C32 | C39 | 117.4° | 119.9° |
| C32 | C33 | F34 | 124.5° | 120.0° |
| C32 | C33 | C35 | 118.8° | 120.0° |
| C32 | C39 | C38 | 123.5° | 120.1° |
| C32 | C39 | H39 | 118.2° | 119.9° |
| F34 | C33 | C35 | 116.6° | 120.0° |
| C33 | C35 | CL36 | 122.4° | 120.1° |
| C33 | C35 | C37 | 121.6° | 119.9° |
| CL36 | C35 | C37 | 116.0° | 120.0° |
| C35 | C37 | C38 | 120.1° | 120.0° |
| C35 | C37 | H37 | 120.0° | 120.0° |
| C38 | C37 | H37 | 120.0° | 120.0° |
| C37 | C38 | C39 | 118.5° | 120.1° |
| C37 | C38 | H38 | 120.8° | 119.9° |
| C39 | C38 | H38 | 120.8° | 120.0° |
| C38 | C39 | H39 | 118.2° | 120.0° |
| C24 | N25 | C26 | 120.0° | 111.0° |
| C24 | N25 | C30 | 120.0° | 111.0° |
| C26 | N25 | C30 | 120.0° | 110.7° |
| N25 | C26 | C27 | 120.0° | 109.2° |
| N25 | C26 | H26A | 106.1° | 109.5° |
| N25 | C26 | H26B | 106.1° | 109.5° |
| N25 | C30 | C29 | 120.0° | 109.3° |
| N25 | C30 | H30A | 106.1° | 109.5° |
| N25 | C30 | H30B | 106.1° | 109.5° |
| C29 | O28 | C27 | 120.0° | 113.7° |
| O28 | C29 | C30 | 120.0° | 109.3° |
| O28 | C29 | H29A | 106.1° | 109.5° |
| O28 | C29 | H29B | 106.1° | 109.5° |
| O28 | C27 | C26 | 120.0° | 109.2° |
| O28 | C27 | H27A | 106.1° | 109.5° |
| O28 | C27 | H27B | 106.1° | 109.5° |
| C26 | C27 | H27A | 106.1° | 109.5° |
| C26 | C27 | H27B | 106.1° | 109.5° |
| C27 | C26 | H26A | 106.1° | 109.5° |
| C27 | C26 | H26B | 106.1° | 109.5° |
| C30 | C29 | H29A | 106.1° | 109.5° |
| C30 | C29 | H29B | 106.1° | 109.5° |
| C29 | C30 | H30A | 106.1° | 109.5° |
| C29 | C30 | H30B | 106.1° | 109.5° |
| H29A | C29 | H29B | 112.6° | 109.6° |
| H27A | C27 | H27B | 112.6° | 109.6° |
| H26A | C26 | H26B | 112.6° | 109.6° |
| H30A | C30 | H30B | 112.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C7 | N11 | 178.8° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | CL4 | 179.9° | 180.0° |
| C1 | C2 | C3 | C5 | 0.2° | 0.0° |
| C2 | C1 | C7 | C6 | 2.2° | 0.0° |
| C2 | C1 | C7 | C8 | 179.9° | 180.0° |
| C2 | C1 | N11 | C9 | 177.4° | 179.9° |
| C2 | C1 | N11 | HN11 | 2.6° | 0.1° |
| C7 | C1 | C2 | C3 | 1.2° | 0.0° |
| C7 | C1 | C2 | H2 | 178.8° | 180.0° |
| C1 | C7 | C6 | C5 | 1.7° | 0.0° |
| C1 | C7 | C6 | C8 | 177.2° | 180.0° |
| C1 | C7 | C6 | H6 | 178.3° | 180.0° |
| C1 | C7 | C8 | C9 | 2.7° | 0.0° |
| C1 | C7 | C8 | C12 | 107.2° | 120.8° |
| C1 | C7 | C8 | C31 | 121.3° | 120.9° |
| C7 | C1 | N11 | C9 | 1.2° | 0.3° |
| C7 | C1 | N11 | HN11 | 178.8° | 179.8° |
| N11 | C1 | C2 | C3 | 179.7° | 179.7° |
| N11 | C1 | C2 | H2 | 0.2° | 0.3° |
| N11 | C1 | C7 | C6 | 179.1° | 179.8° |
| N11 | C1 | C7 | C8 | 1.1° | 0.2° |
| C1 | N11 | C9 | C8 | 3.2° | 0.3° |
| C1 | N11 | C9 | O10 | 179.5° | 180.0° |
| C1 | N11 | C9 | HN11 | 180.0° | 179.9° |
| C2 | C3 | CL4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C5 | C6 | 0.7° | 0.0° |
| C2 | C3 | C5 | H5 | 179.3° | 180.0° |
| H2 | C2 | C3 | CL4 | 0.1° | 0.0° |
| H2 | C2 | C3 | C5 | 179.8° | 180.0° |
| CL4 | C3 | C5 | C6 | 179.4° | 180.0° |
| CL4 | C3 | C5 | H5 | 0.6° | 0.0° |
| C3 | C5 | C6 | H5 | 180.0° | 180.0° |
| C3 | C5 | C6 | C7 | 0.2° | 0.0° |
| C3 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 178.8° | 180.0° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C7 | C8 | C9 | 179.8° | 180.0° |
| C6 | C7 | C8 | C12 | 70.3° | 59.2° |
| C6 | C7 | C8 | C31 | 61.2° | 59.2° |
| H6 | C6 | C7 | C8 | 1.2° | 0.0° |
| C7 | C8 | C9 | C12 | 121.4° | 120.9° |
| C7 | C8 | C9 | C31 | 130.7° | 121.0° |
| C7 | C8 | C12 | C31 | 140.2° | 121.6° |
| C7 | C8 | C9 | O10 | 179.8° | 179.9° |
| C7 | C8 | C9 | N11 | 3.6° | 0.2° |
| C7 | C8 | C12 | C13 | 21.0° | 20.3° |
| C7 | C8 | C12 | N18 | 112.5° | 98.4° |
| C7 | C8 | C12 | H12 | 130.8° | 142.7° |
| C7 | C8 | C31 | C19 | 119.1° | 121.9° |
| C7 | C8 | C31 | C32 | 43.1° | 3.1° |
| C7 | C8 | C31 | H31 | 129.1° | 119.3° |
| C9 | C8 | C12 | C31 | 109.4° | 121.3° |
| C8 | C9 | O10 | N11 | 176.0° | 179.7° |
| C8 | C9 | N11 | HN11 | 176.8° | 179.8° |
| C9 | C8 | C12 | C13 | 89.4° | 96.8° |
| C9 | C8 | C12 | N18 | 137.0° | 144.6° |
| C9 | C8 | C12 | H12 | 20.4° | 25.7° |
| C9 | C8 | C31 | C19 | 123.8° | 121.0° |
| C9 | C8 | C31 | C32 | 74.0° | 120.2° |
| C9 | C8 | C31 | H31 | 12.0° | 2.2° |
| C12 | C8 | C9 | O10 | 58.8° | 59.0° |
| C12 | C8 | C9 | N11 | 117.8° | 120.7° |
| C8 | C12 | C13 | N18 | 127.3° | 114.9° |
| C8 | C12 | C13 | H12 | 118.7° | 122.5° |
| C8 | C12 | N18 | H12 | 120.3° | 118.8° |
| C8 | C12 | C13 | C14 | 158.3° | 172.1° |
| C8 | C12 | C13 | H13 | 81.6° | 52.1° |
| C8 | C12 | C13 | H13A | 38.3° | 67.9° |
| C8 | C12 | N18 | C19 | 28.1° | 38.7° |
| C8 | C12 | N18 | HN18 | 148.1° | 158.3° |
| C12 | C8 | C31 | C19 | 17.6° | 0.3° |
| C12 | C8 | C31 | C32 | 179.8° | 118.5° |
| C12 | C8 | C31 | H31 | 94.3° | 119.1° |
| C31 | C8 | C9 | O10 | 49.0° | 59.1° |
| C31 | C8 | C9 | N11 | 134.3° | 121.2° |
| C31 | C8 | C12 | C13 | 161.2° | 141.9° |
| C31 | C8 | C12 | N18 | 27.7° | 23.2° |
| C31 | C8 | C12 | H12 | 89.0° | 95.6° |
| C8 | C31 | C19 | N18 | 1.6° | 23.8° |
| C8 | C31 | C19 | C20 | 127.9° | 142.5° |
| C8 | C31 | C19 | C32 | 157.5° | 118.8° |
| C8 | C31 | C19 | H31 | 137.7° | 118.8° |
| C8 | C31 | C19 | H19 | 128.3° | 95.1° |
| C8 | C31 | C32 | H31 | 129.5° | 122.4° |
| C8 | C31 | C32 | C33 | 55.2° | 77.0° |
| C8 | C31 | C32 | C39 | 114.1° | 102.7° |
| O10 | C9 | N11 | HN11 | 0.5° | 0.1° |
| C13 | C12 | N18 | H12 | 108.7° | 122.5° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 115.6° | 120.1° |
| C12 | C13 | C14 | C15 | 133.3° | 67.0° |
| C12 | C13 | C14 | C16 | 109.4° | 173.0° |
| C12 | C13 | C14 | C17 | 12.4° | 53.0° |
| C13 | C12 | N18 | C19 | 159.1° | 157.4° |
| C13 | C12 | N18 | HN18 | 80.9° | 83.0° |
| N18 | C12 | C13 | C14 | 31.0° | 73.0° |
| N18 | C12 | C13 | H13 | 151.0° | 167.0° |
| N18 | C12 | C13 | H13A | 89.0° | 47.0° |
| C12 | N18 | C19 | HN18 | 120.0° | 119.6° |
| C12 | N18 | C19 | C20 | 156.4° | 157.8° |
| C12 | N18 | C19 | C31 | 16.3° | 39.0° |
| C12 | N18 | C19 | H19 | 94.2° | 80.0° |
| H12 | C12 | C13 | C14 | 83.0° | 49.6° |
| H12 | C12 | C13 | H13 | 37.0° | 70.4° |
| H12 | C12 | C13 | H13A | 157.0° | 169.6° |
| H12 | C12 | N18 | C19 | 92.2° | 80.1° |
| H12 | C12 | N18 | HN18 | 27.8° | 39.5° |
| C14 | C13 | H13 | H13A | 115.7° | 120.0° |
| C13 | C14 | C15 | C16 | 115.8° | 120.0° |
| C13 | C14 | C15 | C17 | 125.3° | 120.0° |
| C13 | C14 | C16 | C17 | 125.6° | 120.0° |
| C13 | C14 | C15 | H15 | 180.0° | 60.0° |
| C13 | C14 | C15 | H15A | 60.0° | 180.0° |
| C13 | C14 | C15 | H15B | 60.0° | 60.0° |
| C13 | C14 | C16 | H16 | 180.0° | 60.0° |
| C13 | C14 | C16 | H16A | 60.0° | 180.0° |
| C13 | C14 | C16 | H16B | 60.0° | 60.0° |
| C13 | C14 | C17 | H17 | 180.0° | 72.8° |
| C13 | C14 | C17 | H17A | 60.0° | 167.1° |
| C13 | C14 | C17 | H17B | 60.0° | 47.1° |
| H13 | C13 | C14 | C15 | 13.3° | 52.9° |
| H13 | C13 | C14 | C16 | 130.5° | 67.1° |
| H13 | C13 | C14 | C17 | 107.6° | 172.9° |
| H13A | C13 | C14 | C15 | 106.7° | 172.9° |
| H13A | C13 | C14 | C16 | 10.5° | 52.9° |
| H13A | C13 | C14 | C17 | 132.4° | 67.1° |
| C15 | C14 | C16 | C17 | 118.3° | 120.0° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 63.9° | 180.0° |
| C15 | C14 | C16 | H16A | 56.1° | 60.0° |
| C15 | C14 | C16 | H16B | 176.1° | 60.0° |
| C15 | C14 | C17 | H17 | 59.5° | 47.2° |
| C15 | C14 | C17 | H17A | 179.5° | 72.9° |
| C15 | C14 | C17 | H17B | 60.5° | 167.1° |
| C16 | C14 | C15 | H15 | 64.2° | 60.0° |
| C16 | C14 | C15 | H15A | 175.8° | 60.0° |
| C16 | C14 | C15 | H15B | 55.8° | 179.9° |
| C14 | C16 | H16 | H16A | 120.0° | 119.9° |
| C14 | C16 | H16 | H16B | 120.0° | 120.0° |
| C14 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C14 | C17 | H17 | 59.4° | 167.2° |
| C16 | C14 | C17 | H17A | 60.6° | 47.1° |
| C16 | C14 | C17 | H17B | 179.4° | 72.9° |
| C17 | C14 | C15 | H15 | 54.7° | 180.0° |
| C17 | C14 | C15 | H15A | 65.3° | 60.0° |
| C17 | C14 | C15 | H15B | 174.7° | 60.0° |
| C17 | C14 | C16 | H16 | 54.4° | 60.0° |
| C17 | C14 | C16 | H16A | 174.3° | 60.0° |
| C17 | C14 | C16 | H16B | 65.6° | 180.0° |
| C14 | C17 | H17 | H17A | 120.0° | 120.1° |
| C14 | C17 | H17 | H17B | 120.0° | 119.9° |
| C14 | C17 | H17A | H17B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 119.9° |
| H16 | C16 | H16A | H16B | 120.0° | 120.1° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| N18 | C19 | C20 | C31 | 129.1° | 115.1° |
| N18 | C19 | C20 | H19 | 126.4° | 122.3° |
| N18 | C19 | C31 | H19 | 126.7° | 118.9° |
| N18 | C19 | C20 | O21 | 143.6° | 10.4° |
| N18 | C19 | C20 | N22 | 42.1° | 169.7° |
| N18 | C19 | C31 | C32 | 159.1° | 95.0° |
| N18 | C19 | C31 | H31 | 136.0° | 142.6° |
| HN18 | N18 | C19 | C20 | 83.5° | 82.7° |
| HN18 | N18 | C19 | C31 | 136.3° | 158.6° |
| HN18 | N18 | C19 | H19 | 25.9° | 39.6° |
| C20 | C19 | C31 | H19 | 103.7° | 122.4° |
| C19 | C20 | O21 | N22 | 173.5° | 179.9° |
| C19 | C20 | N22 | C23 | 179.6° | 180.0° |
| C19 | C20 | N22 | HN22 | 0.4° | 0.1° |
| C20 | C19 | C31 | C32 | 29.6° | 23.7° |
| C20 | C19 | C31 | H31 | 94.4° | 98.7° |
| C31 | C19 | C20 | O21 | 14.5° | 125.6° |
| C31 | C19 | C20 | N22 | 171.1° | 54.5° |
| C19 | C31 | C32 | H31 | 74.8° | 122.3° |
| C19 | C31 | C32 | C33 | 100.5° | 38.3° |
| C19 | C31 | C32 | C39 | 90.2° | 142.0° |
| H19 | C19 | C20 | O21 | 90.0° | 111.9° |
| H19 | C19 | C20 | N22 | 84.4° | 68.0° |
| H19 | C19 | C31 | C32 | 74.2° | 146.1° |
| H19 | C19 | C31 | H31 | 9.3° | 23.7° |
| O21 | C20 | N22 | C23 | 6.1° | 0.0° |
| O21 | C20 | N22 | HN22 | 174.0° | 180.0° |
| C20 | N22 | C23 | HN22 | 180.0° | 179.9° |
| C20 | N22 | C23 | C24 | 163.7° | 180.0° |
| C20 | N22 | C23 | H23 | 43.7° | 60.0° |
| C20 | N22 | C23 | H23A | 76.3° | 60.0° |
| N22 | C23 | C24 | H23 | 120.0° | 120.0° |
| N22 | C23 | C24 | H23A | 120.0° | 120.0° |
| N22 | C23 | H23 | H23A | 120.9° | 119.9° |
| N22 | C23 | C24 | H24 | 105.4° | 60.0° |
| N22 | C23 | C24 | H24A | 14.6° | 60.0° |
| N22 | C23 | C24 | N25 | 134.6° | 180.0° |
| HN22 | N22 | C23 | C24 | 16.3° | 0.0° |
| HN22 | N22 | C23 | H23 | 136.3° | 120.1° |
| HN22 | N22 | C23 | H23A | 103.7° | 120.0° |
| C24 | C23 | H23 | H23A | 121.0° | 120.0° |
| C23 | C24 | H24 | H24A | 100.4° | 120.0° |
| C23 | C24 | H24 | N25 | 159.1° | 120.1° |
| C23 | C24 | H24A | N25 | 159.1° | 120.0° |
| C23 | C24 | N25 | C26 | 114.1° | 66.4° |
| C23 | C24 | N25 | C30 | 65.9° | 170.0° |
| H23 | C23 | C24 | H24 | 134.6° | 180.0° |
| H23 | C23 | C24 | H24A | 105.4° | 60.0° |
| H23 | C23 | C24 | N25 | 14.6° | 60.0° |
| H23A | C23 | C24 | H24 | 14.6° | 60.0° |
| H23A | C23 | C24 | H24A | 134.6° | 180.0° |
| H23A | C23 | C24 | N25 | 105.4° | 60.0° |
| H24 | C24 | H24A | N25 | 100.4° | 120.0° |
| H24 | C24 | N25 | C26 | 5.9° | 53.7° |
| H24 | C24 | N25 | C30 | 174.1° | 69.9° |
| H24A | C24 | N25 | C26 | 125.9° | 173.6° |
| H24A | C24 | N25 | C30 | 54.1° | 50.0° |
| C31 | C32 | C33 | C39 | 168.5° | 179.6° |
| C31 | C32 | C33 | F34 | 10.7° | 0.1° |
| C31 | C32 | C33 | C35 | 173.2° | 180.0° |
| C31 | C32 | C39 | C38 | 176.3° | 179.8° |
| C31 | C32 | C39 | H39 | 3.7° | 0.1° |
| H31 | C31 | C32 | C33 | 175.3° | 160.7° |
| H31 | C31 | C32 | C39 | 15.4° | 19.7° |
| C32 | C33 | F34 | C35 | 176.2° | 180.0° |
| C32 | C33 | C35 | CL36 | 178.7° | 180.0° |
| C32 | C33 | C35 | C37 | 2.3° | 0.1° |
| C33 | C32 | C39 | C38 | 4.9° | 0.6° |
| C33 | C32 | C39 | H39 | 175.1° | 179.7° |
| C39 | C32 | C33 | F34 | 179.2° | 179.7° |
| C39 | C32 | C33 | C35 | 4.7° | 0.3° |
| C32 | C39 | C38 | C37 | 2.5° | 0.6° |
| C32 | C39 | C38 | H39 | 180.0° | 179.7° |
| C32 | C39 | C38 | H38 | 177.5° | 179.8° |
| F34 | C33 | C35 | CL36 | 2.3° | 0.0° |
| F34 | C33 | C35 | C37 | 178.7° | 180.0° |
| C33 | C35 | CL36 | C37 | 179.1° | 179.9° |
| C33 | C35 | C37 | C38 | 0.2° | 0.1° |
| C33 | C35 | C37 | H37 | 179.8° | 180.0° |
| CL36 | C35 | C37 | C38 | 178.9° | 180.0° |
| CL36 | C35 | C37 | H37 | 1.1° | 0.1° |
| C35 | C37 | C38 | H37 | 180.0° | 179.9° |
| C35 | C37 | C38 | C39 | 0.2° | 0.3° |
| C35 | C37 | C38 | H38 | 179.8° | 180.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.7° |
| C37 | C38 | C39 | H39 | 177.5° | 179.7° |
| H37 | C37 | C38 | C39 | 179.8° | 179.8° |
| H37 | C37 | C38 | H38 | 0.2° | 0.1° |
| H38 | C38 | C39 | H39 | 2.5° | 0.1° |
| C24 | N25 | C26 | C30 | 180.0° | 123.8° |
| C24 | N25 | C26 | C27 | 180.0° | 177.6° |
| C24 | N25 | C30 | C29 | 180.0° | 177.6° |
| C24 | N25 | C26 | H26A | 60.0° | 57.7° |
| C24 | N25 | C26 | H26B | 60.0° | 62.5° |
| C24 | N25 | C30 | H30A | 60.0° | 62.4° |
| C24 | N25 | C30 | H30B | 60.0° | 57.7° |
| N25 | C26 | C27 | O28 | 0.0° | 56.9° |
| N25 | C26 | C27 | H26A | 120.0° | 119.9° |
| N25 | C26 | C27 | H26B | 120.0° | 120.0° |
| C26 | N25 | C30 | C29 | 0.0° | 58.7° |
| N25 | C26 | C27 | H27A | 120.0° | 176.8° |
| N25 | C26 | C27 | H27B | 120.0° | 63.1° |
| N25 | C26 | H26A | H26B | 115.7° | 120.1° |
| C26 | N25 | C30 | H30A | 120.0° | 61.3° |
| C26 | N25 | C30 | H30B | 120.0° | 178.6° |
| N25 | C30 | C29 | O28 | 0.0° | 56.9° |
| C30 | N25 | C26 | C27 | 0.0° | 58.6° |
| N25 | C30 | C29 | H30A | 120.0° | 120.0° |
| N25 | C30 | C29 | H30B | 120.0° | 119.9° |
| N25 | C30 | C29 | H29A | 120.0° | 63.0° |
| N25 | C30 | C29 | H29B | 120.0° | 176.8° |
| C30 | N25 | C26 | H26A | 120.0° | 178.6° |
| C30 | N25 | C26 | H26B | 120.0° | 61.3° |
| N25 | C30 | H30A | H30B | 115.7° | 120.1° |
| C29 | O28 | C27 | C26 | 0.0° | 58.7° |
| O28 | C29 | C30 | H29A | 120.0° | 119.9° |
| O28 | C29 | C30 | H29B | 120.0° | 119.9° |
| O28 | C29 | H29A | H29B | 115.7° | 120.0° |
| C29 | O28 | C27 | H27A | 120.0° | 178.6° |
| C29 | O28 | C27 | H27B | 120.0° | 61.2° |
| O28 | C29 | C30 | H30A | 120.0° | 63.1° |
| O28 | C29 | C30 | H30B | 120.0° | 176.8° |
| O28 | C27 | C26 | H27A | 120.0° | 119.9° |
| O28 | C27 | C26 | H27B | 120.0° | 119.9° |
| C27 | O28 | C29 | C30 | 0.0° | 58.7° |
| C27 | O28 | C29 | H29A | 120.0° | 61.3° |
| C27 | O28 | C29 | H29B | 120.0° | 178.6° |
| O28 | C27 | H27A | H27B | 115.7° | 120.2° |
| O28 | C27 | C26 | H26A | 120.0° | 176.8° |
| O28 | C27 | C26 | H26B | 120.0° | 63.1° |
| C26 | C27 | H27A | H27B | 115.7° | 120.1° |
| C27 | C26 | H26A | H26B | 115.7° | 120.1° |
| C30 | C29 | H29A | H29B | 115.7° | 120.2° |
| C29 | C30 | H30A | H30B | 115.6° | 120.1° |
| H29A | C29 | C30 | H30A | 120.0° | 177.0° |
| H29A | C29 | C30 | H30B | 0.0° | 56.9° |
| H29B | C29 | C30 | H30A | 0.0° | 56.8° |
| H29B | C29 | C30 | H30B | 120.0° | 63.3° |
| H27A | C27 | C26 | H26A | 120.0° | 63.3° |
| H27A | C27 | C26 | H26B | 0.0° | 56.9° |
| H27B | C27 | C26 | H26A | 0.0° | 56.8° |
| H27B | C27 | C26 | H26B | 120.0° | 177.0° |
