XXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C1 | N14 | sing | 1.46Å | 1.52Å | |
| C2 | N3 | sing | 1.35Å | 1.42Å | |
| C2 | O13 | doub | 1.21Å | 1.28Å | |
| N3 | C4 | sing | 1.46Å | 1.47Å | |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.48Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.35Å | Aromatic |
| C7 | CL12 | sing | 1.74Å | 1.74Å | |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | CL11 | sing | 1.74Å | 1.79Å | |
| C9 | C10 | doub | 1.38Å | 1.34Å | Aromatic |
| N14 | C15 | sing | 1.35Å | 1.43Å | |
| N14 | C32 | sing | 1.36Å | 1.41Å | |
| C15 | C16 | sing | 1.47Å | 1.36Å | |
| C15 | O34 | doub | 1.22Å | 1.28Å | |
| C16 | C17 | doub | 1.41Å | 1.48Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | N31 | sing | 1.36Å | 1.43Å | |
| C18 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.46Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.36Å | Aromatic |
| C20 | N22 | sing | 1.40Å | 1.43Å | |
| N22 | C23 | sing | 1.47Å | 1.51Å | |
| N22 | C27 | sing | 1.47Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.42Å | |
| C24 | N25 | sing | 1.47Å | 1.52Å | |
| N25 | C26 | sing | 1.47Å | 1.52Å | |
| N25 | C28 | sing | 1.35Å | 1.41Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | O30 | doub | 1.21Å | 1.24Å | |
| N31 | C32 | doub | 1.30Å | 1.22Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C10 | H42 | sing | 1.08Å | 1.08Å | |
| C18 | H43 | sing | 1.08Å | 1.08Å | |
| C19 | H44 | sing | 1.08Å | 1.08Å | |
| C21 | H45 | sing | 1.08Å | 1.08Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| N3 | H37 | sing | 0.97Å | 1.00Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C9 | H41 | sing | 1.08Å | 1.08Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N14 | 107.9° | 109.5° |
| C1 | C2 | N3 | 115.5° | 120.0° |
| C1 | C2 | O13 | 126.8° | 120.0° |
| C2 | C1 | H35 | 109.9° | 109.5° |
| C2 | C1 | H36 | 109.9° | 109.5° |
| C1 | N14 | C15 | 116.4° | 119.7° |
| C1 | N14 | C32 | 120.2° | 119.7° |
| N14 | C1 | H35 | 109.9° | 109.5° |
| N14 | C1 | H36 | 109.9° | 109.5° |
| N3 | C2 | O13 | 117.6° | 120.0° |
| C2 | N3 | C4 | 115.3° | 120.0° |
| C2 | N3 | H37 | 122.3° | 120.0° |
| N3 | C4 | C5 | 110.5° | 109.5° |
| C4 | N3 | H37 | 122.4° | 120.0° |
| N3 | C4 | H38 | 109.2° | 109.5° |
| N3 | C4 | H39 | 109.2° | 109.5° |
| C4 | C5 | C6 | 117.4° | 120.0° |
| C4 | C5 | C10 | 118.2° | 120.0° |
| C5 | C4 | H38 | 109.2° | 109.5° |
| C5 | C4 | H39 | 109.2° | 109.4° |
| C6 | C5 | C10 | 124.2° | 120.0° |
| C5 | C6 | C7 | 114.4° | 120.0° |
| C5 | C6 | H40 | 122.8° | 120.0° |
| C5 | C10 | C9 | 120.8° | 120.1° |
| C5 | C10 | H42 | 119.6° | 120.0° |
| C6 | C7 | C8 | 118.1° | 120.0° |
| C6 | C7 | CL12 | 119.1° | 120.0° |
| C7 | C6 | H40 | 122.8° | 120.0° |
| C8 | C7 | CL12 | 122.8° | 120.0° |
| C7 | C8 | C9 | 126.2° | 120.0° |
| C7 | C8 | CL11 | 118.8° | 120.0° |
| C9 | C8 | CL11 | 115.0° | 120.0° |
| C8 | C9 | C10 | 116.3° | 120.0° |
| C8 | C9 | H41 | 121.9° | 120.0° |
| C9 | C10 | H42 | 119.6° | 119.9° |
| C10 | C9 | H41 | 121.9° | 120.0° |
| C15 | N14 | C32 | 123.2° | 120.6° |
| N14 | C15 | C16 | 116.6° | 117.4° |
| N14 | C15 | O34 | 120.9° | 121.3° |
| N14 | C32 | N31 | 122.6° | 123.4° |
| N14 | C32 | C33 | 120.5° | 118.3° |
| C16 | C15 | O34 | 122.5° | 121.3° |
| C15 | C16 | C17 | 116.4° | 118.1° |
| C15 | C16 | C21 | 122.6° | 121.9° |
| C17 | C16 | C21 | 120.9° | 120.0° |
| C16 | C17 | C18 | 116.9° | 119.5° |
| C16 | C17 | N31 | 122.6° | 119.0° |
| C16 | C21 | C20 | 121.7° | 119.4° |
| C16 | C21 | H45 | 119.1° | 120.3° |
| C18 | C17 | N31 | 120.4° | 121.5° |
| C17 | C18 | C19 | 120.9° | 119.9° |
| C17 | C18 | H43 | 119.5° | 120.1° |
| C17 | N31 | C32 | 118.6° | 121.6° |
| C18 | C19 | C20 | 120.2° | 120.9° |
| C19 | C18 | H43 | 119.5° | 120.0° |
| C18 | C19 | H44 | 119.9° | 119.6° |
| C19 | C20 | C21 | 119.2° | 120.4° |
| C19 | C20 | N22 | 117.7° | 119.9° |
| C20 | C19 | H44 | 119.9° | 119.5° |
| C21 | C20 | N22 | 123.0° | 119.8° |
| C20 | C21 | H45 | 119.1° | 120.4° |
| C20 | N22 | C23 | 109.1° | 110.9° |
| C20 | N22 | C27 | 113.8° | 111.0° |
| C23 | N22 | C27 | 116.4° | 111.3° |
| N22 | C23 | C24 | 108.3° | 109.3° |
| N22 | C23 | H47 | 109.8° | 109.5° |
| N22 | C23 | H46 | 109.8° | 109.5° |
| N22 | C27 | C26 | 107.1° | 109.3° |
| N22 | C27 | H52 | 110.0° | 109.5° |
| N22 | C27 | H53 | 110.0° | 109.5° |
| C23 | C24 | N25 | 111.6° | 108.5° |
| C24 | C23 | H47 | 109.7° | 109.4° |
| C24 | C23 | H46 | 109.7° | 109.5° |
| C23 | C24 | H49 | 108.9° | 109.6° |
| C23 | C24 | H48 | 108.9° | 109.6° |
| C24 | N25 | C26 | 111.4° | 118.3° |
| C24 | N25 | C28 | 122.3° | 120.9° |
| N25 | C24 | H49 | 108.9° | 109.6° |
| N25 | C24 | H48 | 108.9° | 109.7° |
| C26 | N25 | C28 | 124.8° | 120.9° |
| N25 | C26 | C27 | 111.5° | 108.5° |
| N25 | C26 | H51 | 108.9° | 109.6° |
| N25 | C26 | H50 | 109.0° | 109.8° |
| N25 | C28 | C29 | 117.6° | 119.9° |
| N25 | C28 | O30 | 124.2° | 120.0° |
| C27 | C26 | H51 | 109.0° | 109.6° |
| C27 | C26 | H50 | 108.9° | 109.6° |
| C26 | C27 | H52 | 110.1° | 109.5° |
| C26 | C27 | H53 | 110.1° | 109.5° |
| C29 | C28 | O30 | 118.1° | 120.0° |
| C28 | C29 | H56 | 109.5° | 109.4° |
| C28 | C29 | H54 | 109.5° | 109.5° |
| C28 | C29 | H55 | 109.5° | 109.4° |
| N31 | C32 | C33 | 116.9° | 118.3° |
| C32 | C33 | H57 | 109.5° | 109.5° |
| C32 | C33 | H58 | 109.5° | 109.5° |
| C32 | C33 | H59 | 109.4° | 109.5° |
| H47 | C23 | H46 | 109.5° | 109.5° |
| H49 | C24 | H48 | 109.5° | 109.8° |
| H51 | C26 | H50 | 109.5° | 109.6° |
| H52 | C27 | H53 | 109.5° | 109.5° |
| H35 | C1 | H36 | 109.5° | 109.4° |
| H38 | C4 | H39 | 109.5° | 109.4° |
| H56 | C29 | H54 | 109.5° | 109.5° |
| H56 | C29 | H55 | 109.5° | 109.5° |
| H54 | C29 | H55 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.4° | 109.5° |
| H57 | C33 | H59 | 109.5° | 109.4° |
| H58 | C33 | H59 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N14 | H35 | 119.8° | 120.0° |
| C2 | C1 | N14 | H36 | 119.8° | 120.0° |
| C1 | C2 | N3 | O13 | 179.5° | 180.0° |
| C1 | C2 | N3 | C4 | 178.6° | 180.0° |
| C2 | C1 | N14 | C15 | 72.7° | 85.1° |
| C2 | C1 | N14 | C32 | 102.7° | 94.8° |
| C2 | C1 | H35 | H36 | 120.7° | 120.0° |
| C1 | C2 | N3 | H37 | 1.3° | 0.0° |
| N14 | C1 | C2 | N3 | 154.1° | 180.0° |
| N14 | C1 | C2 | O13 | 26.4° | 0.0° |
| C1 | N14 | C15 | C32 | 175.2° | 180.0° |
| C1 | N14 | C15 | C16 | 171.9° | 180.0° |
| C1 | N14 | C15 | O34 | 8.0° | 0.2° |
| C1 | N14 | C32 | N31 | 172.6° | 179.4° |
| C1 | N14 | C32 | C33 | 10.3° | 0.0° |
| N14 | C1 | H35 | H36 | 120.8° | 120.0° |
| C2 | N3 | C4 | H37 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 89.8° | 180.0° |
| N3 | C2 | C1 | H35 | 86.1° | 60.0° |
| N3 | C2 | C1 | H36 | 34.3° | 60.0° |
| C2 | N3 | C4 | H38 | 150.1° | 60.0° |
| C2 | N3 | C4 | H39 | 30.4° | 60.0° |
| O13 | C2 | N3 | C4 | 0.9° | 0.0° |
| O13 | C2 | C1 | H35 | 93.3° | 120.0° |
| O13 | C2 | C1 | H36 | 146.2° | 120.0° |
| O13 | C2 | N3 | H37 | 179.1° | 180.0° |
| N3 | C4 | C5 | H38 | 120.1° | 120.0° |
| N3 | C4 | C5 | H39 | 120.2° | 120.0° |
| N3 | C4 | C5 | C6 | 29.5° | 90.0° |
| N3 | C4 | C5 | C10 | 156.1° | 90.0° |
| N3 | C4 | H38 | H39 | 119.5° | 120.0° |
| C4 | C5 | C6 | C10 | 174.1° | 180.0° |
| C4 | C5 | C6 | C7 | 174.3° | 180.0° |
| C4 | C5 | C10 | C9 | 173.0° | 179.7° |
| C4 | C5 | C10 | H42 | 7.0° | 0.0° |
| C5 | C4 | N3 | H37 | 90.2° | 0.0° |
| C5 | C4 | H38 | H39 | 119.5° | 119.9° |
| C4 | C5 | C6 | H40 | 5.7° | 0.0° |
| C5 | C6 | C7 | H40 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C7 | CL12 | 176.4° | 180.0° |
| C6 | C5 | C10 | C9 | 1.0° | 0.3° |
| C6 | C5 | C10 | H42 | 179.0° | 180.0° |
| C6 | C5 | C4 | H38 | 90.6° | 30.0° |
| C6 | C5 | C4 | H39 | 149.7° | 150.0° |
| C10 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C10 | C9 | C8 | 2.7° | 0.6° |
| C5 | C10 | C9 | H42 | 180.0° | 179.7° |
| C10 | C5 | C4 | H38 | 83.8° | 150.0° |
| C10 | C5 | C4 | H39 | 35.9° | 30.1° |
| C10 | C5 | C6 | H40 | 179.8° | 180.0° |
| C5 | C10 | C9 | H41 | 177.2° | 180.0° |
| C6 | C7 | C8 | CL12 | 176.9° | 180.0° |
| C6 | C7 | C8 | C9 | 2.6° | 0.3° |
| C6 | C7 | C8 | CL11 | 179.6° | 180.0° |
| C7 | C8 | C9 | CL11 | 177.1° | 179.7° |
| C7 | C8 | C9 | C10 | 3.7° | 0.5° |
| C8 | C7 | C6 | H40 | 179.5° | 180.0° |
| C7 | C8 | C9 | H41 | 176.2° | 180.0° |
| CL12 | C7 | C8 | C9 | 174.3° | 179.7° |
| CL12 | C7 | C8 | CL11 | 2.7° | 0.0° |
| CL12 | C7 | C6 | H40 | 3.5° | 0.0° |
| C8 | C9 | C10 | H41 | 180.0° | 179.5° |
| C8 | C9 | C10 | H42 | 177.2° | 179.7° |
| CL11 | C8 | C9 | C10 | 179.2° | 179.7° |
| CL11 | C8 | C9 | H41 | 0.8° | 0.2° |
| N14 | C15 | C16 | O34 | 179.9° | 179.8° |
| N14 | C15 | C16 | C17 | 1.9° | 0.3° |
| N14 | C15 | C16 | C21 | 175.4° | 179.7° |
| C15 | N14 | C32 | N31 | 2.4° | 0.6° |
| C15 | N14 | C32 | C33 | 174.7° | 180.0° |
| C15 | N14 | C1 | H35 | 167.6° | 154.8° |
| C15 | N14 | C1 | H36 | 47.1° | 34.9° |
| C32 | N14 | C15 | C16 | 3.2° | 0.0° |
| C32 | N14 | C15 | O34 | 176.9° | 179.7° |
| N14 | C32 | N31 | C17 | 0.2° | 0.9° |
| N14 | C32 | N31 | C33 | 177.2° | 179.4° |
| C32 | N14 | C1 | H35 | 17.1° | 25.2° |
| C32 | N14 | C1 | H36 | 137.6° | 145.1° |
| N14 | C32 | C33 | H57 | 177.3° | 84.8° |
| N14 | C32 | C33 | H58 | 62.7° | 155.1° |
| N14 | C32 | C33 | H59 | 57.3° | 35.1° |
| C15 | C16 | C17 | C21 | 177.4° | 180.0° |
| C15 | C16 | C17 | C18 | 176.7° | 180.0° |
| C15 | C16 | C17 | N31 | 0.0° | 0.0° |
| C15 | C16 | C21 | C20 | 176.0° | 180.0° |
| C15 | C16 | C21 | H45 | 4.1° | 0.0° |
| O34 | C15 | C16 | C17 | 178.2° | 180.0° |
| O34 | C15 | C16 | C21 | 4.5° | 0.0° |
| C16 | C17 | C18 | N31 | 176.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C16 | C21 | C20 | 1.3° | 0.0° |
| C16 | C17 | N31 | C32 | 0.9° | 0.6° |
| C16 | C17 | C18 | H43 | 179.6° | 180.0° |
| C17 | C16 | C21 | H45 | 178.7° | 180.0° |
| C21 | C16 | C17 | C18 | 0.7° | 0.0° |
| C21 | C16 | C17 | N31 | 177.4° | 180.0° |
| C16 | C21 | C20 | C19 | 0.8° | 0.1° |
| C16 | C21 | C20 | H45 | 180.0° | 180.0° |
| C16 | C21 | C20 | N22 | 177.1° | 179.9° |
| C17 | C18 | C19 | H43 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C18 | C17 | N31 | C32 | 175.7° | 179.4° |
| C17 | C18 | C19 | H44 | 179.2° | 180.0° |
| N31 | C17 | C18 | C19 | 176.4° | 180.0° |
| C17 | N31 | C32 | C33 | 177.0° | 179.7° |
| N31 | C17 | C18 | H43 | 3.6° | 0.0° |
| C18 | C19 | C20 | H44 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.3° | 0.1° |
| C18 | C19 | C20 | N22 | 178.3° | 179.9° |
| C19 | C20 | C21 | N22 | 177.9° | 180.0° |
| C19 | C20 | N22 | C23 | 58.9° | 0.0° |
| C19 | C20 | N22 | C27 | 169.2° | 124.3° |
| C20 | C19 | C18 | H43 | 179.2° | 180.0° |
| C19 | C20 | C21 | H45 | 179.2° | 180.0° |
| C21 | C20 | N22 | C23 | 119.1° | 180.0° |
| C21 | C20 | N22 | C27 | 12.8° | 55.7° |
| C21 | C20 | C19 | H44 | 179.7° | 180.0° |
| C20 | N22 | C23 | C27 | 130.5° | 124.2° |
| C20 | N22 | C23 | C24 | 172.0° | 172.7° |
| C20 | N22 | C27 | C26 | 176.7° | 172.8° |
| N22 | C20 | C19 | H44 | 1.7° | 0.0° |
| N22 | C20 | C21 | H45 | 2.9° | 0.0° |
| C20 | N22 | C23 | H47 | 68.2° | 52.8° |
| C20 | N22 | C23 | H46 | 52.1° | 67.3° |
| C20 | N22 | C27 | H52 | 57.0° | 67.3° |
| C20 | N22 | C27 | H53 | 63.7° | 52.8° |
| N22 | C23 | C24 | H47 | 119.8° | 120.0° |
| N22 | C23 | C24 | H46 | 119.8° | 120.0° |
| N22 | C23 | C24 | N25 | 56.0° | 53.8° |
| C23 | N22 | C27 | C26 | 55.1° | 63.1° |
| N22 | C23 | H47 | H46 | 120.5° | 120.1° |
| N22 | C23 | C24 | H49 | 176.3° | 173.5° |
| N22 | C23 | C24 | H48 | 64.3° | 65.9° |
| C23 | N22 | C27 | H52 | 174.7° | 56.8° |
| C23 | N22 | C27 | H53 | 64.5° | 176.9° |
| C27 | N22 | C23 | C24 | 57.5° | 63.1° |
| N22 | C27 | C26 | N25 | 52.6° | 53.8° |
| N22 | C27 | C26 | H52 | 119.6° | 119.9° |
| N22 | C27 | C26 | H53 | 119.6° | 120.0° |
| C27 | N22 | C23 | H47 | 62.3° | 177.0° |
| C27 | N22 | C23 | H46 | 177.4° | 56.8° |
| N22 | C27 | C26 | H51 | 172.9° | 65.9° |
| N22 | C27 | C26 | H50 | 67.7° | 173.7° |
| N22 | C27 | H52 | H53 | 121.1° | 120.1° |
| C23 | C24 | N25 | H49 | 120.3° | 119.7° |
| C23 | C24 | N25 | H48 | 120.3° | 119.7° |
| C23 | C24 | N25 | C26 | 58.1° | 51.2° |
| C23 | C24 | N25 | C28 | 108.4° | 128.8° |
| C24 | C23 | H47 | H46 | 120.5° | 120.0° |
| C23 | C24 | H49 | H48 | 119.0° | 120.4° |
| C24 | N25 | C26 | C28 | 166.1° | 180.0° |
| C24 | N25 | C26 | C27 | 56.1° | 51.2° |
| C24 | N25 | C28 | C29 | 176.0° | 5.5° |
| C24 | N25 | C28 | O30 | 7.3° | 174.6° |
| N25 | C24 | C23 | H47 | 63.8° | 173.8° |
| N25 | C24 | C23 | H46 | 175.8° | 66.2° |
| N25 | C24 | H49 | H48 | 119.0° | 120.5° |
| C24 | N25 | C26 | H51 | 176.4° | 68.5° |
| C24 | N25 | C26 | H50 | 64.2° | 171.0° |
| N25 | C26 | C27 | H51 | 120.3° | 119.7° |
| N25 | C26 | C27 | H50 | 120.3° | 119.9° |
| C26 | N25 | C28 | C29 | 11.3° | 174.6° |
| C26 | N25 | C28 | O30 | 172.0° | 5.4° |
| C26 | N25 | C24 | H49 | 178.4° | 170.9° |
| C26 | N25 | C24 | H48 | 62.2° | 68.5° |
| N25 | C26 | H51 | H50 | 119.1° | 120.6° |
| N25 | C26 | C27 | H52 | 172.2° | 66.1° |
| N25 | C26 | C27 | H53 | 67.0° | 173.8° |
| C28 | N25 | C26 | C27 | 110.0° | 128.8° |
| N25 | C28 | C29 | O30 | 176.9° | 180.0° |
| C28 | N25 | C24 | H49 | 11.9° | 9.1° |
| C28 | N25 | C24 | H48 | 131.3° | 111.5° |
| C28 | N25 | C26 | H51 | 10.3° | 111.5° |
| C28 | N25 | C26 | H50 | 129.7° | 9.0° |
| N25 | C28 | C29 | H56 | 176.9° | 94.7° |
| N25 | C28 | C29 | H54 | 56.9° | 25.3° |
| N25 | C28 | C29 | H55 | 63.1° | 145.3° |
| C27 | C26 | H51 | H50 | 119.1° | 120.4° |
| C26 | C27 | H52 | H53 | 121.1° | 120.1° |
| C28 | C29 | H56 | H54 | 120.0° | 120.0° |
| C28 | C29 | H56 | H55 | 120.0° | 119.9° |
| C28 | C29 | H54 | H55 | 120.0° | 120.0° |
| O30 | C28 | C29 | H56 | 0.0° | 85.3° |
| O30 | C28 | C29 | H54 | 120.0° | 154.7° |
| O30 | C28 | C29 | H55 | 120.0° | 34.7° |
| N31 | C32 | C33 | H57 | 0.0° | 94.6° |
| N31 | C32 | C33 | H58 | 120.0° | 25.4° |
| N31 | C32 | C33 | H59 | 120.0° | 145.4° |
| C32 | C33 | H57 | H58 | 120.0° | 120.0° |
| C32 | C33 | H57 | H59 | 120.0° | 120.0° |
| C32 | C33 | H58 | H59 | 120.0° | 120.0° |
| H42 | C10 | C9 | H41 | 2.8° | 0.3° |
| H43 | C18 | C19 | H44 | 0.8° | 0.0° |
| H47 | C23 | C24 | H49 | 56.5° | 66.5° |
| H47 | C23 | C24 | H48 | 175.9° | 54.0° |
| H46 | C23 | C24 | H49 | 63.8° | 53.5° |
| H46 | C23 | C24 | H48 | 55.5° | 174.1° |
| H51 | C26 | C27 | H52 | 67.5° | 174.2° |
| H51 | C26 | C27 | H53 | 53.3° | 54.1° |
| H50 | C26 | C27 | H52 | 51.9° | 53.8° |
| H50 | C26 | C27 | H53 | 172.7° | 66.3° |
| H37 | N3 | C4 | H38 | 29.9° | 120.1° |
| H37 | N3 | C4 | H39 | 149.6° | 119.9° |
| H56 | C29 | H54 | H55 | 120.0° | 120.1° |
| H57 | C33 | H58 | H59 | 120.0° | 120.0° |
