UOW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C35 | sing | 1.43Å | 1.44Å | |
| O34 | C33 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C31 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | N30 | sing | 1.46Å | 1.44Å | |
| N30 | C29 | sing | 1.39Å | 1.34Å | |
| C29 | N28 | doub | 1.32Å | 1.35Å | Aromatic |
| C29 | N37 | sing | 1.33Å | 1.35Å | Aromatic |
| N28 | C27 | sing | 1.33Å | 1.33Å | Aromatic |
| N37 | C38 | doub | 1.32Å | 1.32Å | Aromatic |
| C27 | C22 | sing | 1.48Å | 1.49Å | |
| C27 | C39 | doub | 1.40Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | CL1 | sing | 1.74Å | 1.73Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.48Å | 1.48Å | |
| C24 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| O26 | C25 | doub | 1.22Å | 1.23Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | N17 | sing | 1.34Å | 1.36Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| N17 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C13 | sing | 1.51Å | 1.53Å | |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C13 | N12 | sing | 1.35Å | 1.33Å | |
| C13 | O14 | doub | 1.21Å | 1.23Å | |
| N12 | C9 | sing | 1.47Å | 1.46Å | |
| O11 | C10 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | N8 | sing | 1.32Å | 1.32Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| N8 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H47 | sing | 1.08Å | 1.08Å | |
| C7 | H48 | sing | 1.08Å | 1.08Å | |
| C10 | H49 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C15 | H42 | sing | 1.09Å | 1.10Å | |
| C16 | H53 | sing | 1.09Å | 1.10Å | |
| C16 | H55 | sing | 1.09Å | 1.10Å | |
| C16 | H54 | sing | 1.09Å | 1.10Å | |
| C21 | H59 | sing | 1.08Å | 1.08Å | |
| C23 | H60 | sing | 1.08Å | 1.08Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H70 | sing | 1.09Å | 1.10Å | |
| C38 | H71 | sing | 1.08Å | 1.08Å | |
| C4 | H46 | sing | 1.08Å | 1.08Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| O11 | H51 | sing | 0.97Å | 0.95Å | |
| N12 | H52 | sing | 0.97Å | 1.00Å | |
| C18 | H56 | sing | 1.09Å | 1.10Å | |
| C18 | H57 | sing | 1.09Å | 1.10Å | |
| C20 | H58 | sing | 1.08Å | 1.08Å | |
| N30 | H61 | sing | 0.97Å | 1.00Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | O34 | C33 | 110.2° | 114.1° |
| O34 | C35 | C36 | 111.4° | 109.4° |
| O34 | C35 | H68 | 109.0° | 109.5° |
| O34 | C35 | H67 | 109.0° | 109.5° |
| O34 | C33 | C32 | 111.2° | 109.4° |
| O34 | C33 | H65 | 109.0° | 109.5° |
| O34 | C33 | H66 | 109.0° | 109.5° |
| C35 | C36 | C31 | 111.1° | 109.1° |
| C36 | C35 | H68 | 109.0° | 109.5° |
| C36 | C35 | H67 | 109.0° | 109.5° |
| C35 | C36 | H69 | 109.0° | 109.5° |
| C35 | C36 | H70 | 109.1° | 109.5° |
| C36 | C31 | C32 | 110.0° | 109.2° |
| C36 | C31 | N30 | 110.9° | 109.5° |
| C36 | C31 | H62 | 108.0° | 109.5° |
| C31 | C36 | H69 | 109.1° | 109.5° |
| C31 | C36 | H70 | 109.1° | 109.5° |
| C33 | C32 | C31 | 110.4° | 109.2° |
| C33 | C32 | H63 | 109.2° | 109.5° |
| C33 | C32 | H64 | 109.2° | 109.5° |
| C32 | C33 | H65 | 109.0° | 109.5° |
| C32 | C33 | H66 | 109.0° | 109.5° |
| C32 | C31 | N30 | 110.8° | 109.5° |
| C32 | C31 | H62 | 108.0° | 109.5° |
| C31 | C32 | H63 | 109.3° | 109.6° |
| C31 | C32 | H64 | 109.2° | 109.5° |
| C31 | N30 | C29 | 125.5° | 120.0° |
| N30 | C31 | H62 | 109.0° | 109.6° |
| C31 | N30 | H61 | 105.3° | 120.0° |
| N30 | C29 | N28 | 118.3° | 119.1° |
| N30 | C29 | N37 | 115.9° | 119.1° |
| C29 | N30 | H61 | 105.3° | 120.0° |
| N28 | C29 | N37 | 125.7° | 121.8° |
| C29 | N28 | C27 | 117.6° | 120.6° |
| C29 | N37 | C38 | 116.0° | 121.0° |
| N28 | C27 | C22 | 115.6° | 120.5° |
| N28 | C27 | C39 | 119.2° | 119.0° |
| N37 | C38 | C39 | 121.6° | 119.3° |
| N37 | C38 | H71 | 119.2° | 120.4° |
| C22 | C27 | C39 | 125.2° | 120.5° |
| C27 | C22 | C23 | 121.2° | 120.0° |
| C27 | C22 | C21 | 120.4° | 120.0° |
| C27 | C39 | C38 | 119.9° | 118.4° |
| C27 | C39 | CL1 | 121.2° | 120.8° |
| C38 | C39 | CL1 | 118.9° | 120.8° |
| C39 | C38 | H71 | 119.2° | 120.3° |
| C23 | C22 | C21 | 118.3° | 120.1° |
| C22 | C23 | C24 | 120.2° | 119.7° |
| C22 | C23 | H60 | 119.9° | 120.2° |
| C22 | C21 | C20 | 120.9° | 120.0° |
| C22 | C21 | H59 | 119.6° | 120.0° |
| C23 | C24 | C25 | 130.2° | 132.2° |
| C23 | C24 | C19 | 121.2° | 119.5° |
| C24 | C23 | H60 | 119.9° | 120.1° |
| C16 | C15 | N17 | 112.2° | 109.5° |
| C16 | C15 | C13 | 112.2° | 109.5° |
| C16 | C15 | H42 | 106.6° | 109.5° |
| C15 | C16 | H53 | 109.5° | 109.4° |
| C15 | C16 | H55 | 109.5° | 109.5° |
| C15 | C16 | H54 | 109.5° | 109.4° |
| C21 | C20 | C19 | 120.1° | 120.2° |
| C20 | C21 | H59 | 119.6° | 120.0° |
| C21 | C20 | H58 | 120.0° | 119.9° |
| C25 | C24 | C19 | 108.6° | 108.3° |
| C24 | C25 | O26 | 128.4° | 124.9° |
| C24 | C25 | N17 | 106.3° | 110.3° |
| C24 | C19 | C20 | 119.3° | 120.5° |
| C24 | C19 | C18 | 109.6° | 106.4° |
| O26 | C25 | N17 | 125.3° | 124.8° |
| C20 | C19 | C18 | 131.0° | 133.1° |
| C19 | C20 | H58 | 119.9° | 119.9° |
| C25 | N17 | C18 | 113.3° | 108.8° |
| C25 | N17 | C15 | 122.9° | 125.6° |
| C19 | C18 | N17 | 101.9° | 106.2° |
| C19 | C18 | H56 | 111.3° | 110.1° |
| C19 | C18 | H57 | 111.3° | 110.1° |
| C18 | N17 | C15 | 123.7° | 125.6° |
| N17 | C18 | H56 | 111.3° | 110.1° |
| N17 | C18 | H57 | 111.3° | 110.0° |
| N17 | C15 | C13 | 111.5° | 109.5° |
| N17 | C15 | H42 | 107.4° | 109.5° |
| C15 | C13 | N12 | 114.7° | 120.0° |
| C15 | C13 | O14 | 121.6° | 120.0° |
| C13 | C15 | H42 | 106.6° | 109.5° |
| C1 | O2 | C3 | 118.6° | 117.0° |
| O2 | C1 | H44 | 109.5° | 109.4° |
| O2 | C1 | H43 | 109.5° | 109.5° |
| O2 | C1 | H45 | 109.4° | 109.5° |
| N12 | C13 | O14 | 123.7° | 120.0° |
| C13 | N12 | C9 | 124.2° | 120.0° |
| C13 | N12 | H52 | 117.9° | 120.0° |
| N12 | C9 | C10 | 108.0° | 109.5° |
| N12 | C9 | C5 | 113.8° | 109.5° |
| N12 | C9 | H41 | 108.7° | 109.4° |
| C9 | N12 | H52 | 117.9° | 120.0° |
| O11 | C10 | C9 | 110.5° | 109.5° |
| O11 | C10 | H49 | 109.2° | 109.5° |
| O11 | C10 | H50 | 109.2° | 109.5° |
| C10 | O11 | H51 | 109.5° | 114.0° |
| O2 | C3 | C4 | 118.5° | 119.7° |
| O2 | C3 | N8 | 118.5° | 119.7° |
| C3 | C4 | C5 | 118.9° | 119.1° |
| C4 | C3 | N8 | 123.0° | 120.7° |
| C3 | C4 | H46 | 120.6° | 120.5° |
| C4 | C5 | C9 | 122.2° | 120.8° |
| C4 | C5 | C6 | 117.6° | 118.5° |
| C5 | C4 | H46 | 120.6° | 120.4° |
| C10 | C9 | C5 | 110.6° | 109.5° |
| C9 | C10 | H49 | 109.2° | 109.5° |
| C9 | C10 | H50 | 109.2° | 109.5° |
| C10 | C9 | H41 | 107.8° | 109.5° |
| C9 | C5 | C6 | 120.2° | 120.7° |
| C5 | C9 | H41 | 107.8° | 109.5° |
| C3 | N8 | C7 | 118.2° | 121.7° |
| C5 | C6 | C7 | 119.6° | 119.3° |
| C5 | C6 | H47 | 120.2° | 120.4° |
| N8 | C7 | C6 | 122.7° | 120.8° |
| N8 | C7 | H48 | 118.6° | 119.6° |
| C7 | C6 | H47 | 120.2° | 120.3° |
| C6 | C7 | H48 | 118.6° | 119.6° |
| H44 | C1 | H43 | 109.5° | 109.5° |
| H44 | C1 | H45 | 109.4° | 109.4° |
| H43 | C1 | H45 | 109.5° | 109.5° |
| H49 | C10 | H50 | 109.5° | 109.5° |
| H53 | C16 | H55 | 109.5° | 109.5° |
| H53 | C16 | H54 | 109.4° | 109.5° |
| H55 | C16 | H54 | 109.5° | 109.5° |
| H68 | C35 | H67 | 109.5° | 109.5° |
| H69 | C36 | H70 | 109.5° | 109.6° |
| H56 | C18 | H57 | 109.5° | 110.2° |
| H63 | C32 | H64 | 109.5° | 109.5° |
| H65 | C33 | H66 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C35 | C36 | H68 | 120.3° | 120.0° |
| O34 | C35 | C36 | H67 | 120.3° | 120.0° |
| O34 | C35 | C36 | C31 | 55.2° | 57.5° |
| C35 | O34 | C33 | C32 | 62.5° | 61.2° |
| O34 | C35 | H68 | H67 | 119.1° | 120.1° |
| O34 | C35 | C36 | H69 | 175.4° | 62.3° |
| O34 | C35 | C36 | H70 | 65.1° | 177.4° |
| C35 | O34 | C33 | H65 | 177.3° | 58.8° |
| C35 | O34 | C33 | H66 | 57.8° | 178.8° |
| C33 | O34 | C35 | C36 | 60.7° | 61.2° |
| O34 | C33 | C32 | H65 | 120.3° | 120.0° |
| O34 | C33 | C32 | H66 | 120.3° | 120.0° |
| O34 | C33 | C32 | C31 | 58.5° | 57.6° |
| C33 | O34 | C35 | H68 | 59.6° | 178.8° |
| C33 | O34 | C35 | H67 | 179.0° | 58.8° |
| O34 | C33 | C32 | H63 | 61.6° | 177.6° |
| O34 | C33 | C32 | H64 | 178.6° | 62.3° |
| O34 | C33 | H65 | H66 | 119.2° | 120.0° |
| C35 | C36 | C31 | H69 | 120.3° | 119.9° |
| C35 | C36 | C31 | H70 | 120.2° | 119.9° |
| C35 | C36 | C31 | C32 | 50.7° | 56.9° |
| C35 | C36 | C31 | N30 | 173.6° | 176.8° |
| C35 | C36 | C31 | H62 | 67.0° | 63.0° |
| C36 | C35 | H68 | H67 | 119.1° | 120.0° |
| C35 | C36 | H69 | H70 | 119.2° | 120.2° |
| C36 | C31 | C32 | C33 | 52.0° | 56.9° |
| C36 | C31 | C32 | N30 | 123.0° | 119.9° |
| C36 | C31 | C32 | H62 | 117.6° | 119.9° |
| C36 | C31 | N30 | H62 | 118.8° | 120.1° |
| C36 | C31 | N30 | C29 | 82.5° | 155.1° |
| C31 | C36 | C35 | H68 | 65.1° | 177.6° |
| C31 | C36 | C35 | H67 | 175.5° | 62.5° |
| C31 | C36 | H69 | H70 | 119.2° | 120.2° |
| C36 | C31 | N30 | H61 | 39.6° | 24.9° |
| C36 | C31 | C32 | H63 | 68.2° | 176.9° |
| C36 | C31 | C32 | H64 | 172.1° | 63.0° |
| C33 | C32 | C31 | H63 | 120.1° | 120.0° |
| C33 | C32 | C31 | H64 | 120.1° | 119.9° |
| C33 | C32 | C31 | N30 | 175.0° | 176.8° |
| C33 | C32 | C31 | H62 | 65.7° | 63.0° |
| C33 | C32 | H63 | H64 | 119.6° | 120.1° |
| C32 | C33 | H65 | H66 | 119.2° | 120.1° |
| C32 | C31 | N30 | H62 | 118.7° | 120.2° |
| C32 | C31 | N30 | C29 | 155.0° | 85.2° |
| C32 | C31 | C36 | H69 | 170.9° | 63.0° |
| C32 | C31 | C36 | H70 | 69.6° | 176.8° |
| C32 | C31 | N30 | H61 | 82.8° | 94.8° |
| C31 | C32 | H63 | H64 | 119.6° | 120.1° |
| C31 | C32 | C33 | H65 | 178.8° | 62.4° |
| C31 | C32 | C33 | H66 | 61.8° | 177.5° |
| C31 | N30 | C29 | H61 | 122.2° | 180.0° |
| C31 | N30 | C29 | N28 | 6.1° | 180.0° |
| C31 | N30 | C29 | N37 | 173.8° | 0.0° |
| N30 | C31 | C36 | H69 | 66.2° | 57.0° |
| N30 | C31 | C36 | H70 | 53.3° | 63.3° |
| N30 | C31 | C32 | H63 | 54.9° | 63.2° |
| N30 | C31 | C32 | H64 | 64.9° | 56.9° |
| N30 | C29 | N28 | N37 | 179.9° | 180.0° |
| N30 | C29 | N28 | C27 | 179.6° | 180.0° |
| N30 | C29 | N37 | C38 | 179.6° | 179.7° |
| C29 | N30 | C31 | H62 | 36.3° | 35.0° |
| N28 | C29 | N37 | C38 | 0.3° | 0.2° |
| C29 | N28 | C27 | C22 | 180.0° | 180.0° |
| C29 | N28 | C27 | C39 | 0.1° | 0.2° |
| N28 | C29 | N30 | H61 | 128.3° | 0.0° |
| N37 | C29 | N28 | C27 | 0.3° | 0.0° |
| C29 | N37 | C38 | C39 | 0.1° | 0.2° |
| C29 | N37 | C38 | H71 | 179.9° | 179.7° |
| N37 | C29 | N30 | H61 | 51.6° | 180.0° |
| N28 | C27 | C22 | C39 | 179.9° | 179.8° |
| N28 | C27 | C39 | C38 | 0.5° | 0.2° |
| N28 | C27 | C22 | C23 | 143.2° | 35.3° |
| N28 | C27 | C22 | C21 | 36.1° | 145.3° |
| N28 | C27 | C39 | CL1 | 179.7° | 179.8° |
| N37 | C38 | C39 | C27 | 0.5° | 0.0° |
| N37 | C38 | C39 | H71 | 180.0° | 179.9° |
| N37 | C38 | C39 | CL1 | 179.7° | 180.0° |
| C22 | C27 | C39 | C38 | 179.7° | 180.0° |
| C27 | C22 | C23 | C21 | 179.3° | 179.5° |
| C27 | C22 | C23 | C24 | 179.5° | 180.0° |
| C22 | C27 | C39 | CL1 | 0.5° | 0.0° |
| C27 | C22 | C21 | C20 | 179.3° | 179.9° |
| C27 | C22 | C21 | H59 | 0.7° | 0.1° |
| C27 | C22 | C23 | H60 | 0.5° | 0.6° |
| C27 | C39 | C38 | CL1 | 179.2° | 180.0° |
| C39 | C27 | C22 | C23 | 36.7° | 144.9° |
| C39 | C27 | C22 | C21 | 144.1° | 34.5° |
| C27 | C39 | C38 | H71 | 179.5° | 179.9° |
| C22 | C23 | C24 | H60 | 180.0° | 179.4° |
| C23 | C22 | C21 | C20 | 0.0° | 0.4° |
| C22 | C23 | C24 | C25 | 178.8° | 179.8° |
| C22 | C23 | C24 | C19 | 0.2° | 0.2° |
| C23 | C22 | C21 | H59 | 179.9° | 179.6° |
| C21 | C22 | C23 | C24 | 0.3° | 0.5° |
| C22 | C21 | C20 | H59 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C21 | C22 | C23 | H60 | 179.8° | 179.9° |
| C22 | C21 | C20 | H58 | 179.8° | 179.9° |
| C23 | C24 | C25 | C19 | 179.1° | 179.9° |
| C23 | C24 | C25 | O26 | 3.4° | 0.0° |
| C23 | C24 | C19 | C20 | 0.1° | 0.2° |
| C23 | C24 | C25 | N17 | 177.0° | 180.0° |
| C23 | C24 | C19 | C18 | 179.8° | 180.0° |
| CL1 | C39 | C38 | H71 | 0.3° | 0.0° |
| C16 | C15 | N17 | C25 | 144.9° | 60.0° |
| C16 | C15 | N17 | C18 | 39.8° | 119.9° |
| C16 | C15 | N17 | C13 | 126.8° | 120.0° |
| C16 | C15 | N17 | H42 | 116.8° | 120.0° |
| C16 | C15 | C13 | H42 | 116.3° | 120.0° |
| C16 | C15 | C13 | N12 | 66.6° | 60.0° |
| C16 | C15 | C13 | O14 | 113.3° | 120.0° |
| C15 | C16 | H53 | H55 | 120.0° | 120.0° |
| C15 | C16 | H53 | H54 | 120.0° | 120.0° |
| C15 | C16 | H55 | H54 | 120.0° | 120.0° |
| C21 | C20 | C19 | C24 | 0.3° | 0.3° |
| C21 | C20 | C19 | H58 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 179.9° | 180.0° |
| C24 | C25 | O26 | N17 | 179.5° | 180.0° |
| C25 | C24 | C19 | C20 | 179.3° | 179.8° |
| C25 | C24 | C19 | C18 | 1.0° | 0.0° |
| C24 | C25 | N17 | C18 | 5.4° | 0.0° |
| C24 | C25 | N17 | C15 | 178.8° | 180.0° |
| C25 | C24 | C23 | H60 | 1.2° | 0.4° |
| C19 | C24 | C25 | O26 | 175.7° | 180.0° |
| C24 | C19 | C20 | C18 | 179.6° | 179.7° |
| C19 | C24 | C25 | N17 | 3.9° | 0.0° |
| C24 | C19 | C18 | N17 | 2.0° | 0.0° |
| C19 | C24 | C23 | H60 | 179.8° | 179.6° |
| C24 | C19 | C18 | H56 | 116.8° | 119.2° |
| C24 | C19 | C18 | H57 | 120.8° | 119.1° |
| C24 | C19 | C20 | H58 | 179.7° | 179.6° |
| O26 | C25 | N17 | C18 | 174.2° | 180.0° |
| O26 | C25 | N17 | C15 | 1.6° | 0.0° |
| C20 | C19 | C18 | N17 | 177.6° | 179.7° |
| C19 | C20 | C21 | H59 | 179.8° | 180.0° |
| C20 | C19 | C18 | H56 | 63.6° | 61.1° |
| C20 | C19 | C18 | H57 | 58.8° | 60.6° |
| C25 | N17 | C18 | C19 | 4.7° | 0.0° |
| C25 | N17 | C18 | C15 | 175.7° | 180.0° |
| C25 | N17 | C15 | C13 | 88.3° | 60.0° |
| C25 | N17 | C15 | H42 | 28.1° | 180.0° |
| C25 | N17 | C18 | H56 | 114.1° | 119.2° |
| C25 | N17 | C18 | H57 | 123.5° | 119.2° |
| C19 | C18 | N17 | H56 | 118.8° | 119.2° |
| C19 | C18 | N17 | H57 | 118.8° | 119.1° |
| C19 | C18 | N17 | C15 | 179.6° | 180.0° |
| C19 | C18 | H56 | H57 | 123.5° | 121.6° |
| C18 | C19 | C20 | H58 | 0.1° | 0.1° |
| C18 | N17 | C15 | C13 | 87.0° | 120.1° |
| C18 | N17 | C15 | H42 | 156.6° | 0.1° |
| N17 | C18 | H56 | H57 | 123.5° | 121.5° |
| N17 | C15 | C13 | H42 | 116.9° | 120.0° |
| N17 | C15 | C13 | N12 | 166.6° | 180.0° |
| N17 | C15 | C13 | O14 | 13.5° | 0.0° |
| N17 | C15 | C16 | H53 | 180.0° | 60.0° |
| N17 | C15 | C16 | H55 | 60.0° | 180.0° |
| N17 | C15 | C16 | H54 | 60.0° | 60.0° |
| C15 | N17 | C18 | H56 | 61.6° | 60.8° |
| C15 | N17 | C18 | H57 | 60.8° | 60.9° |
| C15 | C13 | N12 | O14 | 179.9° | 180.0° |
| C15 | C13 | N12 | C9 | 178.2° | 180.0° |
| C13 | C15 | C16 | H53 | 53.6° | 180.0° |
| C13 | C15 | C16 | H55 | 66.4° | 60.0° |
| C13 | C15 | C16 | H54 | 173.6° | 60.0° |
| C15 | C13 | N12 | H52 | 1.7° | 0.1° |
| C1 | O2 | C3 | C4 | 0.8° | 179.7° |
| C1 | O2 | C3 | N8 | 179.2° | 0.1° |
| O2 | C1 | H44 | H43 | 120.0° | 120.0° |
| O2 | C1 | H44 | H45 | 120.0° | 120.0° |
| O2 | C1 | H43 | H45 | 120.0° | 120.1° |
| C13 | N12 | C9 | H52 | 180.0° | 179.9° |
| C13 | N12 | C9 | C10 | 134.1° | 85.0° |
| C13 | N12 | C9 | C5 | 102.7° | 155.0° |
| N12 | C13 | C15 | H42 | 49.7° | 60.0° |
| C13 | N12 | C9 | H41 | 17.4° | 35.0° |
| O14 | C13 | N12 | C9 | 1.8° | 0.0° |
| O14 | C13 | C15 | H42 | 130.4° | 120.0° |
| O14 | C13 | N12 | H52 | 178.2° | 179.9° |
| N12 | C9 | C10 | O11 | 56.4° | 65.0° |
| N12 | C9 | C5 | C4 | 7.7° | 140.3° |
| N12 | C9 | C10 | C5 | 125.1° | 120.0° |
| N12 | C9 | C10 | H41 | 117.2° | 120.0° |
| N12 | C9 | C5 | H41 | 120.6° | 119.9° |
| N12 | C9 | C5 | C6 | 173.0° | 40.0° |
| N12 | C9 | C10 | H49 | 176.6° | 55.0° |
| N12 | C9 | C10 | H50 | 63.7° | 175.0° |
| O11 | C10 | C9 | H49 | 120.1° | 120.0° |
| O11 | C10 | C9 | H50 | 120.2° | 120.0° |
| O11 | C10 | C9 | C5 | 68.7° | 55.0° |
| O11 | C10 | H49 | H50 | 119.6° | 120.0° |
| O11 | C10 | C9 | H41 | 173.7° | 175.0° |
| O2 | C3 | C4 | N8 | 180.0° | 179.8° |
| O2 | C3 | C4 | C5 | 179.9° | 179.8° |
| O2 | C3 | N8 | C7 | 179.8° | 180.0° |
| C3 | O2 | C1 | H44 | 180.0° | 60.1° |
| C3 | O2 | C1 | H43 | 60.0° | 59.9° |
| C3 | O2 | C1 | H45 | 60.0° | 180.0° |
| O2 | C3 | C4 | H46 | 0.1° | 0.3° |
| C3 | C4 | C5 | H46 | 180.0° | 180.0° |
| C3 | C4 | C5 | C9 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C4 | C3 | N8 | C7 | 0.2° | 0.3° |
| C4 | C5 | C9 | C10 | 114.1° | 99.7° |
| C4 | C5 | C9 | C6 | 179.3° | 179.7° |
| C5 | C4 | C3 | N8 | 0.2° | 0.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.3° |
| C4 | C5 | C6 | H47 | 179.5° | 180.0° |
| C4 | C5 | C9 | H41 | 128.3° | 20.3° |
| C10 | C9 | C5 | H41 | 117.6° | 120.0° |
| C10 | C9 | C5 | C6 | 65.2° | 80.0° |
| C9 | C10 | H49 | H50 | 119.5° | 120.0° |
| C9 | C10 | O11 | H51 | 180.0° | 180.0° |
| C10 | C9 | N12 | H52 | 45.9° | 94.9° |
| C9 | C5 | C6 | C7 | 179.9° | 180.0° |
| C9 | C5 | C6 | H47 | 0.2° | 0.3° |
| C5 | C9 | C10 | H49 | 51.5° | 175.0° |
| C5 | C9 | C10 | H50 | 171.2° | 65.0° |
| C9 | C5 | C4 | H46 | 0.2° | 0.3° |
| C5 | C9 | N12 | H52 | 77.3° | 25.1° |
| C3 | N8 | C7 | C6 | 0.1° | 0.5° |
| C3 | N8 | C7 | H48 | 179.9° | 180.0° |
| N8 | C3 | C4 | H46 | 179.8° | 180.0° |
| C5 | C6 | C7 | N8 | 0.2° | 0.5° |
| C5 | C6 | C7 | H47 | 180.0° | 179.7° |
| C5 | C6 | C7 | H48 | 179.7° | 180.0° |
| C6 | C5 | C4 | H46 | 179.5° | 180.0° |
| C6 | C5 | C9 | H41 | 52.4° | 160.0° |
| N8 | C7 | C6 | H48 | 180.0° | 179.5° |
| N8 | C7 | C6 | H47 | 179.8° | 179.7° |
| H44 | C1 | H43 | H45 | 120.0° | 120.0° |
| H47 | C6 | C7 | H48 | 0.2° | 0.3° |
| H49 | C10 | C9 | H41 | 66.2° | 65.0° |
| H49 | C10 | O11 | H51 | 59.8° | 60.0° |
| H50 | C10 | C9 | H41 | 53.5° | 55.0° |
| H50 | C10 | O11 | H51 | 59.9° | 60.0° |
| H42 | C15 | C16 | H53 | 62.7° | 60.0° |
| H42 | C15 | C16 | H55 | 177.3° | 60.0° |
| H42 | C15 | C16 | H54 | 57.3° | 180.0° |
| H53 | C16 | H55 | H54 | 120.0° | 120.1° |
| H59 | C21 | C20 | H58 | 0.2° | 0.0° |
| H62 | C31 | C36 | H69 | 53.2° | 177.1° |
| H62 | C31 | C36 | H70 | 172.7° | 56.9° |
| H62 | C31 | N30 | H61 | 158.4° | 145.0° |
| H62 | C31 | C32 | H63 | 174.2° | 57.0° |
| H62 | C31 | C32 | H64 | 54.4° | 177.1° |
| H68 | C35 | C36 | H69 | 55.1° | 57.7° |
| H68 | C35 | C36 | H70 | 174.6° | 62.5° |
| H67 | C35 | C36 | H69 | 64.2° | 177.7° |
| H67 | C35 | C36 | H70 | 55.2° | 57.5° |
| H41 | C9 | N12 | H52 | 162.6° | 145.1° |
| H63 | C32 | C33 | H65 | 58.6° | 57.6° |
| H63 | C32 | C33 | H66 | 178.1° | 62.5° |
| H64 | C32 | C33 | H65 | 61.1° | 177.7° |
| H64 | C32 | C33 | H66 | 58.4° | 57.6° |
