A1I9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C29 | doub | 1.21Å | 1.25Å | |
| C29 | O31 | sing | 1.35Å | 1.26Å | |
| C29 | C28 | sing | 1.48Å | 1.51Å | |
| C32 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.36Å | 1.36Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C33 | C34 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.47Å | 1.43Å | Aromatic |
| C26 | N25 | sing | 1.35Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | N37 | sing | 1.32Å | 1.33Å | Aromatic |
| C35 | C40 | sing | 1.42Å | 1.42Å | Aromatic |
| N37 | C38 | doub | 1.32Å | 1.34Å | Aromatic |
| N25 | C24 | doub | 1.31Å | 1.34Å | Aromatic |
| C40 | C24 | sing | 1.46Å | 1.44Å | Aromatic |
| C40 | C39 | doub | 1.40Å | 1.42Å | Aromatic |
| C38 | C39 | sing | 1.37Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.38Å | 1.34Å | |
| N23 | C22 | sing | 1.47Å | 1.45Å | |
| CL16 | C15 | sing | 1.74Å | 1.73Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C17 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N18 | sing | 1.46Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| N18 | C2 | sing | 1.35Å | 1.34Å | |
| N7 | C8 | sing | 1.46Å | 1.45Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C13 | CL14 | sing | 1.74Å | 1.73Å | |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | O6 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.08Å | 1.08Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| N18 | H26 | sing | 0.97Å | 1.00Å | |
| N23 | H27 | sing | 0.97Å | 1.00Å | |
| N7 | H28 | sing | 0.97Å | 1.00Å | |
| O31 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C29 | O31 | 124.3° | 120.0° |
| O30 | C29 | C28 | 118.5° | 120.0° |
| O31 | C29 | C28 | 117.1° | 120.0° |
| C29 | O31 | H29 | 109.5° | 117.0° |
| C29 | C28 | C32 | 120.9° | 119.8° |
| C29 | C28 | C27 | 120.2° | 119.8° |
| C28 | C32 | C33 | 120.8° | 120.4° |
| C32 | C28 | C27 | 118.9° | 120.4° |
| C28 | C32 | H19 | 119.6° | 119.8° |
| C32 | C33 | C34 | 121.6° | 120.2° |
| C33 | C32 | H19 | 119.6° | 119.8° |
| C32 | C33 | H20 | 119.2° | 119.9° |
| C28 | C27 | C26 | 121.7° | 119.8° |
| C28 | C27 | H16 | 119.1° | 120.1° |
| C33 | C34 | C26 | 117.9° | 120.2° |
| C33 | C34 | C35 | 123.8° | 121.2° |
| C34 | C33 | H20 | 119.1° | 119.9° |
| C27 | C26 | C34 | 119.1° | 119.0° |
| C27 | C26 | N25 | 118.1° | 119.9° |
| C26 | C27 | H16 | 119.2° | 120.1° |
| C26 | C34 | C35 | 118.0° | 118.5° |
| C34 | C26 | N25 | 122.6° | 121.1° |
| C34 | C35 | C36 | 123.6° | 123.3° |
| C34 | C35 | C40 | 119.5° | 117.7° |
| C26 | N25 | C24 | 119.8° | 123.4° |
| C35 | C36 | N37 | 124.4° | 119.8° |
| C36 | C35 | C40 | 116.8° | 119.0° |
| C35 | C36 | H21 | 117.8° | 120.1° |
| C36 | N37 | C38 | 117.3° | 122.6° |
| N37 | C36 | H21 | 117.8° | 120.1° |
| C35 | C40 | C24 | 117.9° | 118.7° |
| C35 | C40 | C39 | 117.9° | 118.3° |
| N37 | C38 | C39 | 124.2° | 121.8° |
| N37 | C38 | H22 | 117.9° | 119.1° |
| N25 | C24 | C40 | 122.2° | 120.6° |
| N25 | C24 | N23 | 116.0° | 119.7° |
| C24 | C40 | C39 | 124.2° | 123.0° |
| C40 | C24 | N23 | 121.0° | 119.7° |
| C40 | C39 | C38 | 119.3° | 118.6° |
| C40 | C39 | H23 | 120.4° | 120.7° |
| C39 | C38 | H22 | 117.9° | 119.1° |
| C38 | C39 | H23 | 120.3° | 120.7° |
| C24 | N23 | C22 | 125.0° | 120.0° |
| C24 | N23 | H27 | 105.5° | 120.0° |
| N23 | C22 | C21 | 113.5° | 109.5° |
| N23 | C22 | H10 | 108.4° | 109.4° |
| N23 | C22 | H11 | 108.4° | 109.4° |
| C22 | N23 | H27 | 105.5° | 120.0° |
| CL16 | C15 | C17 | 119.9° | 120.0° |
| CL16 | C15 | C13 | 120.4° | 120.0° |
| C22 | C21 | C20 | 118.9° | 109.5° |
| C22 | C21 | H8 | 107.1° | 109.4° |
| C22 | C21 | H9 | 107.1° | 109.5° |
| C21 | C22 | H10 | 108.5° | 109.5° |
| C21 | C22 | H11 | 108.4° | 109.5° |
| C15 | C17 | C10 | 120.5° | 120.0° |
| C17 | C15 | C13 | 119.7° | 120.0° |
| C15 | C17 | H5 | 119.8° | 120.0° |
| C17 | C10 | C9 | 122.6° | 119.9° |
| C17 | C10 | C11 | 118.6° | 120.0° |
| C10 | C17 | H5 | 119.7° | 120.0° |
| N18 | C19 | C20 | 117.7° | 109.5° |
| C19 | N18 | C2 | 125.2° | 120.0° |
| N18 | C19 | H14 | 107.4° | 109.5° |
| N18 | C19 | H15 | 107.4° | 109.5° |
| C19 | N18 | H26 | 117.4° | 120.0° |
| C19 | C20 | C21 | 110.4° | 109.5° |
| C19 | C20 | H6 | 109.3° | 109.5° |
| C19 | C20 | H7 | 109.3° | 109.5° |
| C20 | C19 | H14 | 107.4° | 109.5° |
| C20 | C19 | H15 | 107.4° | 109.4° |
| C21 | C20 | H6 | 109.2° | 109.5° |
| C21 | C20 | H7 | 109.2° | 109.4° |
| C20 | C21 | H8 | 107.1° | 109.5° |
| C20 | C21 | H9 | 107.1° | 109.5° |
| C15 | C13 | CL14 | 121.2° | 120.0° |
| C15 | C13 | C12 | 120.2° | 119.9° |
| C10 | C9 | C8 | 107.3° | 109.5° |
| C9 | C10 | C11 | 118.8° | 120.0° |
| C10 | C9 | H24 | 110.0° | 109.4° |
| C10 | C9 | H25 | 110.0° | 109.5° |
| C9 | C8 | N7 | 114.0° | 109.4° |
| C9 | C8 | H3 | 108.3° | 109.5° |
| C9 | C8 | H4 | 108.3° | 109.4° |
| C8 | C9 | H24 | 110.0° | 109.5° |
| C8 | C9 | H25 | 110.0° | 109.5° |
| C10 | C11 | C12 | 121.2° | 120.1° |
| C10 | C11 | H12 | 119.4° | 119.9° |
| N18 | C2 | C3 | 116.1° | 120.0° |
| N18 | C2 | O1 | 123.3° | 120.0° |
| C2 | N18 | H26 | 117.4° | 120.0° |
| C8 | N7 | C5 | 121.3° | 120.0° |
| N7 | C8 | H3 | 108.3° | 109.5° |
| N7 | C8 | H4 | 108.3° | 109.5° |
| C8 | N7 | H28 | 119.3° | 120.0° |
| N7 | C5 | C4 | 115.8° | 120.0° |
| N7 | C5 | O6 | 121.8° | 120.0° |
| C5 | N7 | H28 | 119.3° | 120.0° |
| C5 | C4 | C3 | 113.7° | 109.5° |
| C4 | C5 | O6 | 122.5° | 120.0° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C5 | C4 | H2 | 108.4° | 109.5° |
| C4 | C3 | C2 | 111.4° | 109.5° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C3 | C4 | H2 | 108.4° | 109.4° |
| C4 | C3 | H17 | 109.0° | 109.5° |
| C4 | C3 | H18 | 109.0° | 109.5° |
| CL14 | C13 | C12 | 118.7° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C13 | C12 | H13 | 120.0° | 119.9° |
| C3 | C2 | O1 | 120.6° | 120.0° |
| C2 | C3 | H17 | 109.0° | 109.5° |
| C2 | C3 | H18 | 109.0° | 109.4° |
| C12 | C11 | H12 | 119.4° | 120.0° |
| C11 | C12 | H13 | 120.1° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.4° |
| H24 | C9 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C29 | O31 | C28 | 179.4° | 180.0° |
| O30 | C29 | C28 | C32 | 10.6° | 180.0° |
| O30 | C29 | C28 | C27 | 167.0° | 0.0° |
| O30 | C29 | O31 | H29 | 0.0° | 0.0° |
| O31 | C29 | C28 | C32 | 170.0° | 0.0° |
| O31 | C29 | C28 | C27 | 12.5° | 180.0° |
| C29 | C28 | C32 | C27 | 177.6° | 180.0° |
| C29 | C28 | C32 | C33 | 177.1° | 180.0° |
| C29 | C28 | C27 | C26 | 176.9° | 180.0° |
| C29 | C28 | C27 | H16 | 3.1° | 0.1° |
| C29 | C28 | C32 | H19 | 2.9° | 0.0° |
| C28 | C29 | O31 | H29 | 179.4° | 180.0° |
| C28 | C32 | C33 | H19 | 180.0° | 180.0° |
| C28 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C28 | C27 | C26 | 0.7° | 0.0° |
| C32 | C28 | C27 | H16 | 179.3° | 180.0° |
| C28 | C32 | C33 | H20 | 179.9° | 180.0° |
| C33 | C32 | C28 | C27 | 0.5° | 0.0° |
| C32 | C33 | C34 | H20 | 180.0° | 180.0° |
| C32 | C33 | C34 | C26 | 0.2° | 0.0° |
| C32 | C33 | C34 | C35 | 173.1° | 179.8° |
| C28 | C27 | C26 | H16 | 180.0° | 179.9° |
| C28 | C27 | C26 | C34 | 0.5° | 0.0° |
| C28 | C27 | C26 | N25 | 173.9° | 179.9° |
| C27 | C28 | C32 | H19 | 179.5° | 180.0° |
| C33 | C34 | C26 | C27 | 0.0° | 0.0° |
| C33 | C34 | C26 | C35 | 173.7° | 179.8° |
| C33 | C34 | C26 | N25 | 174.0° | 180.0° |
| C33 | C34 | C35 | C36 | 5.5° | 0.1° |
| C33 | C34 | C35 | C40 | 173.3° | 180.0° |
| C34 | C33 | C32 | H19 | 179.9° | 180.0° |
| C27 | C26 | C34 | N25 | 174.1° | 180.0° |
| C27 | C26 | C34 | C35 | 173.7° | 179.7° |
| C27 | C26 | N25 | C24 | 173.2° | 180.0° |
| C26 | C34 | C35 | C36 | 178.7° | 179.7° |
| C26 | C34 | C35 | C40 | 0.0° | 0.2° |
| C34 | C26 | N25 | C24 | 0.9° | 0.1° |
| C34 | C26 | C27 | H16 | 179.5° | 180.0° |
| C26 | C34 | C33 | H20 | 179.9° | 180.0° |
| C35 | C34 | C26 | N25 | 0.4° | 0.3° |
| C34 | C35 | C36 | C40 | 178.8° | 179.9° |
| C34 | C35 | C36 | N37 | 178.9° | 180.0° |
| C34 | C35 | C40 | C24 | 0.3° | 0.0° |
| C34 | C35 | C40 | C39 | 178.9° | 180.0° |
| C35 | C34 | C33 | H20 | 6.9° | 0.2° |
| C34 | C35 | C36 | H21 | 1.1° | 0.1° |
| C26 | N25 | C24 | C40 | 1.2° | 0.2° |
| C26 | N25 | C24 | N23 | 168.2° | 180.0° |
| N25 | C26 | C27 | H16 | 6.2° | 0.0° |
| C35 | C36 | N37 | H21 | 180.0° | 180.0° |
| C35 | C36 | N37 | C38 | 0.0° | 0.0° |
| C36 | C35 | C40 | C24 | 178.6° | 179.9° |
| C36 | C35 | C40 | C39 | 0.1° | 0.1° |
| N37 | C36 | C35 | C40 | 0.1° | 0.1° |
| C36 | N37 | C38 | C39 | 0.0° | 0.0° |
| C36 | N37 | C38 | H22 | 180.0° | 180.0° |
| C35 | C40 | C24 | N25 | 0.9° | 0.3° |
| C35 | C40 | C24 | C39 | 178.6° | 180.0° |
| C35 | C40 | C39 | C38 | 0.0° | 0.1° |
| C35 | C40 | C24 | N23 | 168.0° | 180.0° |
| C40 | C35 | C36 | H21 | 179.9° | 180.0° |
| C35 | C40 | C39 | H23 | 180.0° | 180.0° |
| N37 | C38 | C39 | C40 | 0.1° | 0.0° |
| N37 | C38 | C39 | H22 | 180.0° | 180.0° |
| C38 | N37 | C36 | H21 | 180.0° | 180.0° |
| N37 | C38 | C39 | H23 | 180.0° | 180.0° |
| N25 | C24 | C40 | N23 | 168.9° | 179.8° |
| N25 | C24 | C40 | C39 | 179.4° | 179.8° |
| N25 | C24 | N23 | C22 | 44.3° | 0.2° |
| N25 | C24 | N23 | H27 | 166.4° | 179.8° |
| C24 | C40 | C39 | C38 | 178.6° | 180.0° |
| C40 | C24 | N23 | C22 | 146.2° | 180.0° |
| C24 | C40 | C39 | H23 | 1.4° | 0.0° |
| C40 | C24 | N23 | H27 | 24.1° | 0.0° |
| C40 | C39 | C38 | H23 | 180.0° | 179.9° |
| C39 | C40 | C24 | N23 | 10.5° | 0.0° |
| C40 | C39 | C38 | H22 | 179.9° | 180.0° |
| C24 | N23 | C22 | H27 | 122.1° | 180.0° |
| C24 | N23 | C22 | C21 | 127.5° | 180.0° |
| C24 | N23 | C22 | H10 | 6.9° | 60.0° |
| C24 | N23 | C22 | H11 | 111.9° | 59.9° |
| N23 | C22 | C21 | H10 | 120.6° | 120.0° |
| N23 | C22 | C21 | H11 | 120.6° | 120.0° |
| N23 | C22 | C21 | C20 | 36.6° | 180.0° |
| N23 | C22 | C21 | H8 | 84.7° | 60.0° |
| N23 | C22 | C21 | H9 | 157.9° | 60.0° |
| N23 | C22 | H10 | H11 | 118.1° | 119.9° |
| CL16 | C15 | C17 | C13 | 179.5° | 179.9° |
| CL16 | C15 | C17 | C10 | 179.7° | 180.0° |
| CL16 | C15 | C13 | CL14 | 0.2° | 0.0° |
| CL16 | C15 | C13 | C12 | 179.6° | 180.0° |
| CL16 | C15 | C17 | H5 | 0.3° | 0.1° |
| C22 | C21 | C20 | C19 | 99.1° | 180.0° |
| C22 | C21 | C20 | H8 | 121.3° | 120.0° |
| C22 | C21 | C20 | H9 | 121.3° | 120.0° |
| C22 | C21 | C20 | H6 | 21.0° | 60.0° |
| C22 | C21 | C20 | H7 | 140.7° | 60.0° |
| C22 | C21 | H8 | H9 | 115.7° | 120.0° |
| C21 | C22 | H10 | H11 | 118.1° | 120.0° |
| C21 | C22 | N23 | H27 | 110.4° | 0.0° |
| C15 | C17 | C10 | H5 | 180.0° | 180.0° |
| C15 | C17 | C10 | C9 | 178.9° | 179.7° |
| C15 | C17 | C10 | C11 | 0.1° | 0.0° |
| C17 | C15 | C13 | CL14 | 179.8° | 180.0° |
| C17 | C15 | C13 | C12 | 0.1° | 0.0° |
| C10 | C17 | C15 | C13 | 0.1° | 0.0° |
| C17 | C10 | C9 | C11 | 179.0° | 179.7° |
| C17 | C10 | C9 | C8 | 179.2° | 89.8° |
| C17 | C10 | C11 | C12 | 0.1° | 0.0° |
| C17 | C10 | C11 | H12 | 179.9° | 180.0° |
| C17 | C10 | C9 | H24 | 59.5° | 150.3° |
| C17 | C10 | C9 | H25 | 61.1° | 30.3° |
| N18 | C19 | C20 | H14 | 121.2° | 120.0° |
| N18 | C19 | C20 | H15 | 121.2° | 120.0° |
| N18 | C19 | C20 | C21 | 148.8° | 180.0° |
| C19 | N18 | C2 | H26 | 180.0° | 180.0° |
| C19 | N18 | C2 | C3 | 168.4° | 180.0° |
| C19 | N18 | C2 | O1 | 13.9° | 0.0° |
| N18 | C19 | C20 | H6 | 91.0° | 60.0° |
| N18 | C19 | C20 | H7 | 28.7° | 60.0° |
| N18 | C19 | H14 | H15 | 116.3° | 120.0° |
| C19 | C20 | C21 | H6 | 120.1° | 120.0° |
| C19 | C20 | C21 | H7 | 120.2° | 120.0° |
| C20 | C19 | N18 | C2 | 56.5° | 180.0° |
| C19 | C20 | H6 | H7 | 119.6° | 120.0° |
| C19 | C20 | C21 | H8 | 22.2° | 60.0° |
| C19 | C20 | C21 | H9 | 139.5° | 60.0° |
| C20 | C19 | H14 | H15 | 116.3° | 120.0° |
| C20 | C19 | N18 | H26 | 123.5° | 0.0° |
| C21 | C20 | H6 | H7 | 119.5° | 120.0° |
| C20 | C21 | H8 | H9 | 115.7° | 120.0° |
| C20 | C21 | C22 | H10 | 157.2° | 60.0° |
| C20 | C21 | C22 | H11 | 84.0° | 60.0° |
| C21 | C20 | C19 | H14 | 27.7° | 60.0° |
| C21 | C20 | C19 | H15 | 90.0° | 60.0° |
| C15 | C13 | CL14 | C12 | 179.9° | 180.0° |
| C15 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C15 | C17 | H5 | 179.9° | 180.0° |
| C15 | C13 | C12 | H13 | 179.9° | 179.9° |
| C10 | C9 | C8 | H24 | 119.7° | 119.9° |
| C10 | C9 | C8 | H25 | 119.7° | 120.0° |
| C10 | C9 | C8 | N7 | 153.5° | 180.0° |
| C9 | C10 | C11 | C12 | 179.0° | 179.7° |
| C10 | C9 | C8 | H3 | 32.9° | 59.9° |
| C10 | C9 | C8 | H4 | 85.8° | 60.1° |
| C9 | C10 | C17 | H5 | 1.1° | 0.3° |
| C9 | C10 | C11 | H12 | 1.1° | 0.3° |
| C10 | C9 | H24 | H25 | 121.0° | 120.0° |
| C8 | C9 | C10 | C11 | 1.8° | 89.9° |
| C9 | C8 | N7 | H3 | 120.7° | 120.0° |
| C9 | C8 | N7 | H4 | 120.7° | 119.9° |
| C9 | C8 | N7 | C5 | 155.6° | 180.0° |
| C9 | C8 | H3 | H4 | 117.9° | 120.0° |
| C8 | C9 | H24 | H25 | 121.0° | 120.1° |
| C9 | C8 | N7 | H28 | 24.4° | 0.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C11 | C10 | C17 | H5 | 179.9° | 180.0° |
| C10 | C11 | C12 | H13 | 179.9° | 179.9° |
| C11 | C10 | C9 | H24 | 121.5° | 30.0° |
| C11 | C10 | C9 | H25 | 117.9° | 150.0° |
| N18 | C2 | C3 | C4 | 95.8° | 180.0° |
| N18 | C2 | C3 | O1 | 177.7° | 179.9° |
| C2 | N18 | C19 | H14 | 177.7° | 60.0° |
| C2 | N18 | C19 | H15 | 64.7° | 60.0° |
| N18 | C2 | C3 | H17 | 143.9° | 59.9° |
| N18 | C2 | C3 | H18 | 24.4° | 60.0° |
| C8 | N7 | C5 | H28 | 180.0° | 180.0° |
| C8 | N7 | C5 | C4 | 177.9° | 180.0° |
| C8 | N7 | C5 | O6 | 1.3° | 0.1° |
| N7 | C8 | H3 | H4 | 117.9° | 120.1° |
| N7 | C8 | C9 | H24 | 86.8° | 60.0° |
| N7 | C8 | C9 | H25 | 33.9° | 60.0° |
| N7 | C5 | C4 | O6 | 179.1° | 179.9° |
| N7 | C5 | C4 | C3 | 155.0° | 180.0° |
| N7 | C5 | C4 | H1 | 34.4° | 60.0° |
| N7 | C5 | C4 | H2 | 84.3° | 60.0° |
| C5 | N7 | C8 | H3 | 83.7° | 60.1° |
| C5 | N7 | C8 | H4 | 34.9° | 60.0° |
| C5 | C4 | C3 | H1 | 120.6° | 120.1° |
| C5 | C4 | C3 | H2 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 164.2° | 180.0° |
| C5 | C4 | H1 | H2 | 118.1° | 120.0° |
| C5 | C4 | C3 | H17 | 43.9° | 60.0° |
| C5 | C4 | C3 | H18 | 75.5° | 60.0° |
| C4 | C5 | N7 | H28 | 2.2° | 0.0° |
| C4 | C3 | C2 | H17 | 120.3° | 120.1° |
| C4 | C3 | C2 | H18 | 120.3° | 120.0° |
| C4 | C3 | C2 | O1 | 86.4° | 0.1° |
| C3 | C4 | C5 | O6 | 25.8° | 0.0° |
| C3 | C4 | H1 | H2 | 118.1° | 119.9° |
| C4 | C3 | H17 | H18 | 119.1° | 120.0° |
| CL14 | C13 | C12 | C11 | 179.8° | 180.0° |
| CL14 | C13 | C12 | H13 | 0.2° | 0.0° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 75.1° | 59.9° |
| C2 | C3 | C4 | H2 | 43.6° | 60.0° |
| C2 | C3 | H17 | H18 | 119.1° | 119.9° |
| C3 | C2 | N18 | H26 | 11.6° | 0.1° |
| O1 | C2 | C3 | H17 | 33.9° | 120.0° |
| O1 | C2 | C3 | H18 | 153.3° | 120.0° |
| O1 | C2 | N18 | H26 | 166.1° | 180.0° |
| O6 | C5 | C4 | H1 | 146.4° | 120.1° |
| O6 | C5 | C4 | H2 | 94.8° | 120.0° |
| O6 | C5 | N7 | H28 | 178.7° | 180.0° |
| H1 | C4 | C3 | H17 | 164.6° | 180.0° |
| H1 | C4 | C3 | H18 | 45.1° | 60.0° |
| H2 | C4 | C3 | H17 | 76.7° | 60.1° |
| H2 | C4 | C3 | H18 | 163.9° | 179.9° |
| H3 | C8 | C9 | H24 | 152.5° | 60.0° |
| H3 | C8 | C9 | H25 | 86.8° | 180.0° |
| H3 | C8 | N7 | H28 | 96.3° | 120.0° |
| H4 | C8 | C9 | H24 | 33.9° | 180.0° |
| H4 | C8 | C9 | H25 | 154.5° | 60.0° |
| H4 | C8 | N7 | H28 | 145.0° | 119.9° |
| H6 | C20 | C21 | H8 | 142.3° | 60.0° |
| H6 | C20 | C21 | H9 | 100.3° | 180.0° |
| H6 | C20 | C19 | H14 | 147.8° | 180.0° |
| H6 | C20 | C19 | H15 | 30.2° | 60.0° |
| H7 | C20 | C21 | H8 | 98.0° | 180.0° |
| H7 | C20 | C21 | H9 | 19.4° | 60.0° |
| H7 | C20 | C19 | H14 | 92.5° | 60.0° |
| H7 | C20 | C19 | H15 | 149.9° | 180.0° |
| H8 | C21 | C22 | H10 | 35.9° | 180.0° |
| H8 | C21 | C22 | H11 | 154.7° | 60.0° |
| H9 | C21 | C22 | H10 | 81.5° | 60.0° |
| H9 | C21 | C22 | H11 | 37.3° | 180.0° |
| H10 | C22 | N23 | H27 | 129.0° | 120.0° |
| H11 | C22 | N23 | H27 | 10.2° | 120.0° |
| H12 | C11 | C12 | H13 | 0.1° | 0.0° |
| H14 | C19 | N18 | H26 | 2.3° | 120.0° |
| H15 | C19 | N18 | H26 | 115.3° | 120.0° |
| H19 | C32 | C33 | H20 | 0.1° | 0.0° |
| H22 | C38 | C39 | H23 | 0.0° | 0.0° |
