OQI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.48Å | |
| C20 | C22 | sing | 1.53Å | 1.50Å | |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C23 | sing | 1.51Å | 1.50Å | |
| C17 | N15 | sing | 1.46Å | 1.44Å | |
| C23 | N28 | doub | 1.32Å | 1.36Å | Aromatic |
| F32 | C31 | sing | 1.35Å | 1.34Å | |
| N14 | N15 | sing | 1.40Å | 1.34Å | Aromatic |
| N14 | C13 | doub | 1.31Å | 1.35Å | Aromatic |
| C26 | C30 | sing | 1.48Å | 1.46Å | |
| C26 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| N15 | C16 | sing | 1.35Å | 1.36Å | Aromatic |
| C39 | N40 | doub | 1.31Å | 1.31Å | Aromatic |
| C39 | N38 | sing | 1.35Å | 1.36Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C30 | C37 | sing | 1.40Å | 1.38Å | Aromatic |
| N40 | N41 | sing | 1.29Å | 1.37Å | Aromatic |
| CL34 | C33 | sing | 1.74Å | 1.71Å | |
| C33 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| N28 | C27 | sing | 1.32Å | 1.36Å | Aromatic |
| N28 | O29 | sing | 1.42Å | 1.27Å | |
| C37 | N38 | sing | 1.40Å | 1.40Å | |
| C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| N38 | N42 | sing | 1.41Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| N41 | N42 | doub | 1.29Å | 1.32Å | Aromatic |
| C12 | C9 | sing | 1.48Å | 1.44Å | |
| C9 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | N5 | sing | 1.40Å | 1.40Å | |
| N5 | C3 | sing | 1.35Å | 1.36Å | |
| C3 | O2 | sing | 1.35Å | 1.36Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| O2 | C1 | sing | 1.45Å | 1.42Å | |
| C8 | H48 | sing | 1.08Å | 1.08Å | |
| C10 | H49 | sing | 1.08Å | 1.08Å | |
| C25 | H61 | sing | 1.08Å | 1.08Å | |
| C36 | H64 | sing | 1.08Å | 1.08Å | |
| C7 | H47 | sing | 1.08Å | 1.08Å | |
| C11 | H50 | sing | 1.08Å | 1.08Å | |
| C35 | H63 | sing | 1.08Å | 1.08Å | |
| C24 | H60 | sing | 1.08Å | 1.08Å | |
| C13 | H51 | sing | 1.08Å | 1.08Å | |
| C16 | H52 | sing | 1.08Å | 1.08Å | |
| C27 | H62 | sing | 1.08Å | 1.08Å | |
| C39 | H65 | sing | 1.08Å | 1.08Å | |
| C21 | H56 | sing | 1.09Å | 1.10Å | |
| C21 | H57 | sing | 1.09Å | 1.10Å | |
| C22 | H59 | sing | 1.09Å | 1.10Å | |
| C22 | H58 | sing | 1.09Å | 1.10Å | |
| C20 | H55 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H53 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| N5 | H46 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 59.8° | 60.0° |
| C21 | C20 | C19 | 117.4° | 117.5° |
| C21 | C20 | C22 | 60.1° | 60.0° |
| C20 | C21 | H56 | 120.0° | 117.5° |
| C20 | C21 | H57 | 120.0° | 117.5° |
| C21 | C20 | H55 | 115.5° | 117.5° |
| C21 | C22 | C20 | 60.1° | 60.0° |
| C22 | C21 | H56 | 120.0° | 117.5° |
| C22 | C21 | H57 | 120.0° | 117.4° |
| C21 | C22 | H59 | 120.0° | 117.5° |
| C21 | C22 | H58 | 120.0° | 117.5° |
| C19 | C20 | C22 | 120.7° | 117.5° |
| C20 | C19 | C17 | 107.1° | 109.5° |
| C19 | C20 | H55 | 115.9° | 115.5° |
| C20 | C19 | H54 | 110.1° | 109.5° |
| C20 | C19 | H53 | 110.1° | 109.4° |
| C20 | C22 | H59 | 120.0° | 117.5° |
| C20 | C22 | H58 | 120.0° | 117.5° |
| C22 | C20 | H55 | 115.6° | 117.5° |
| C19 | C17 | C23 | 112.1° | 109.5° |
| C19 | C17 | N15 | 110.3° | 109.5° |
| C17 | C19 | H54 | 110.1° | 109.5° |
| C17 | C19 | H53 | 110.1° | 109.5° |
| C19 | C17 | H18 | 106.2° | 109.5° |
| C25 | C24 | C23 | 119.0° | 119.3° |
| C24 | C25 | C26 | 121.6° | 118.4° |
| C24 | C25 | H61 | 119.2° | 120.8° |
| C25 | C24 | H60 | 120.5° | 120.4° |
| C24 | C23 | C17 | 123.8° | 119.5° |
| C24 | C23 | N28 | 119.9° | 121.0° |
| C23 | C24 | H60 | 120.5° | 120.4° |
| C25 | C26 | C30 | 121.8° | 120.5° |
| C25 | C26 | C27 | 117.2° | 118.9° |
| C26 | C25 | H61 | 119.2° | 120.8° |
| C23 | C17 | N15 | 114.4° | 109.5° |
| C17 | C23 | N28 | 116.3° | 119.5° |
| C23 | C17 | H18 | 106.4° | 109.4° |
| C17 | N15 | N14 | 122.3° | 125.9° |
| C17 | N15 | C16 | 123.6° | 125.9° |
| N15 | C17 | H18 | 107.0° | 109.5° |
| C23 | N28 | C27 | 120.1° | 121.9° |
| C23 | N28 | O29 | 120.0° | 119.1° |
| F32 | C31 | C30 | 120.1° | 120.0° |
| F32 | C31 | C33 | 118.6° | 120.1° |
| N15 | N14 | C13 | 102.8° | 108.5° |
| N14 | N15 | C16 | 114.1° | 108.2° |
| N14 | C13 | C12 | 112.9° | 108.1° |
| N14 | C13 | H51 | 123.5° | 125.9° |
| C30 | C26 | C27 | 120.9° | 120.6° |
| C26 | C30 | C31 | 118.4° | 120.2° |
| C26 | C30 | C37 | 123.3° | 120.1° |
| C26 | C27 | N28 | 122.2° | 120.6° |
| C26 | C27 | H62 | 118.9° | 119.7° |
| N15 | C16 | C12 | 106.7° | 107.6° |
| N15 | C16 | H52 | 126.6° | 126.2° |
| N40 | C39 | N38 | 109.6° | 107.3° |
| C39 | N40 | N41 | 104.6° | 110.6° |
| N40 | C39 | H65 | 125.2° | 126.4° |
| C39 | N38 | C37 | 127.2° | 127.4° |
| C39 | N38 | N42 | 109.0° | 105.2° |
| N38 | C39 | H65 | 125.2° | 126.3° |
| C30 | C31 | C33 | 121.3° | 119.9° |
| C31 | C30 | C37 | 118.3° | 119.7° |
| C31 | C33 | CL34 | 119.5° | 119.9° |
| C31 | C33 | C35 | 120.3° | 120.2° |
| C30 | C37 | N38 | 121.2° | 120.1° |
| C30 | C37 | C36 | 120.6° | 119.8° |
| N40 | N41 | N42 | 112.0° | 110.2° |
| CL34 | C33 | C35 | 120.1° | 119.9° |
| C33 | C35 | C36 | 118.9° | 120.3° |
| C33 | C35 | H63 | 120.5° | 119.8° |
| C27 | N28 | O29 | 119.9° | 119.1° |
| N28 | C27 | H62 | 118.9° | 119.7° |
| N38 | C37 | C36 | 118.2° | 120.1° |
| C37 | N38 | N42 | 123.5° | 127.4° |
| C37 | C36 | C35 | 120.6° | 120.2° |
| C37 | C36 | H64 | 119.7° | 120.0° |
| N38 | N42 | N41 | 104.8° | 106.7° |
| C13 | C12 | C16 | 103.4° | 107.6° |
| C13 | C12 | C9 | 135.8° | 126.2° |
| C12 | C13 | H51 | 123.5° | 125.9° |
| C35 | C36 | H64 | 119.7° | 119.9° |
| C36 | C35 | H63 | 120.5° | 119.9° |
| C16 | C12 | C9 | 120.7° | 126.2° |
| C12 | C16 | H52 | 126.7° | 126.3° |
| C12 | C9 | C10 | 115.6° | 120.1° |
| C12 | C9 | C8 | 124.5° | 120.0° |
| C10 | C9 | C8 | 119.8° | 119.9° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| C9 | C10 | H49 | 119.7° | 120.0° |
| C9 | C8 | C7 | 119.9° | 119.9° |
| C9 | C8 | H48 | 120.0° | 120.0° |
| C10 | C11 | C6 | 119.9° | 120.0° |
| C11 | C10 | H49 | 119.7° | 120.0° |
| C10 | C11 | H50 | 120.1° | 120.0° |
| C8 | C7 | C6 | 119.1° | 120.0° |
| C7 | C8 | H48 | 120.0° | 120.0° |
| C8 | C7 | H47 | 120.5° | 120.0° |
| C11 | C6 | C7 | 120.8° | 120.1° |
| C11 | C6 | N5 | 112.1° | 119.9° |
| C6 | C11 | H50 | 120.1° | 120.0° |
| C7 | C6 | N5 | 127.1° | 119.9° |
| C6 | C7 | H47 | 120.5° | 120.0° |
| C6 | N5 | C3 | 127.1° | 120.0° |
| C6 | N5 | H46 | 116.5° | 120.0° |
| N5 | C3 | O2 | 114.5° | 120.0° |
| N5 | C3 | O4 | 121.8° | 120.0° |
| C3 | N5 | H46 | 116.5° | 120.0° |
| O2 | C3 | O4 | 123.6° | 120.0° |
| C3 | O2 | C1 | 105.9° | 117.0° |
| O2 | C1 | H45 | 109.5° | 109.5° |
| O2 | C1 | H43 | 109.5° | 109.4° |
| O2 | C1 | H44 | 109.5° | 109.5° |
| H56 | C21 | H57 | 109.5° | 115.6° |
| H59 | C22 | H58 | 109.5° | 115.5° |
| H45 | C1 | H43 | 109.5° | 109.4° |
| H45 | C1 | H44 | 109.5° | 109.5° |
| H43 | C1 | H44 | 109.5° | 109.4° |
| H54 | C19 | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H56 | 109.4° | 107.5° |
| C20 | C21 | C22 | H57 | 109.4° | 107.5° |
| C21 | C20 | C19 | C22 | 69.7° | 68.7° |
| C21 | C20 | C19 | H55 | 142.4° | 145.6° |
| C21 | C20 | C22 | H55 | 106.0° | 107.5° |
| C21 | C20 | C19 | C17 | 134.0° | 175.0° |
| C20 | C21 | H56 | H57 | 144.8° | 145.7° |
| C20 | C21 | C22 | H59 | 109.5° | 107.5° |
| C20 | C21 | C22 | H58 | 109.5° | 107.5° |
| C21 | C20 | C19 | H54 | 106.4° | 55.0° |
| C21 | C20 | C19 | H53 | 14.3° | 65.0° |
| C22 | C21 | H56 | H57 | 144.8° | 145.6° |
| C21 | C22 | H59 | H58 | 144.7° | 145.7° |
| C19 | C20 | C22 | H55 | 148.0° | 145.0° |
| C20 | C19 | C17 | H54 | 119.6° | 120.0° |
| C20 | C19 | C17 | H53 | 119.7° | 119.9° |
| C20 | C19 | C17 | C23 | 176.3° | 175.0° |
| C20 | C19 | C17 | N15 | 47.6° | 65.0° |
| C19 | C20 | C21 | H56 | 1.9° | 145.0° |
| C19 | C20 | C21 | H57 | 139.2° | 0.1° |
| C19 | C20 | C22 | H59 | 3.5° | 0.0° |
| C19 | C20 | C22 | H58 | 144.5° | 145.0° |
| C20 | C19 | H54 | H53 | 121.1° | 119.9° |
| C20 | C19 | C17 | H18 | 67.9° | 55.0° |
| C22 | C20 | C19 | C17 | 64.3° | 116.3° |
| C20 | C22 | H59 | H58 | 144.7° | 145.7° |
| C22 | C20 | C19 | H54 | 176.1° | 123.6° |
| C22 | C20 | C19 | H53 | 55.4° | 3.6° |
| C19 | C17 | C23 | C24 | 24.5° | 35.9° |
| C19 | C17 | C23 | N15 | 126.5° | 120.0° |
| C19 | C17 | C23 | H18 | 115.7° | 120.0° |
| C19 | C17 | N15 | H18 | 115.1° | 120.0° |
| C19 | C17 | C23 | N28 | 154.7° | 144.1° |
| C19 | C17 | N15 | N14 | 67.5° | 144.5° |
| C19 | C17 | N15 | C16 | 112.3° | 35.8° |
| C17 | C19 | C20 | H55 | 83.6° | 29.3° |
| C17 | C19 | H54 | H53 | 121.1° | 120.0° |
| C25 | C24 | C23 | H60 | 180.0° | 180.0° |
| C24 | C25 | C26 | H61 | 180.0° | 179.7° |
| C25 | C24 | C23 | C17 | 179.2° | 180.0° |
| C25 | C24 | C23 | N28 | 0.1° | 0.0° |
| C24 | C25 | C26 | C30 | 177.6° | 179.7° |
| C24 | C25 | C26 | C27 | 0.6° | 0.2° |
| C23 | C24 | C25 | C26 | 0.4° | 0.0° |
| C24 | C23 | C17 | N28 | 179.2° | 180.0° |
| C24 | C23 | C17 | N15 | 102.0° | 84.1° |
| C24 | C23 | N28 | C27 | 0.0° | 0.3° |
| C24 | C23 | N28 | O29 | 179.2° | 180.0° |
| C23 | C24 | C25 | H61 | 179.6° | 179.7° |
| C24 | C23 | C17 | H18 | 140.1° | 155.9° |
| C25 | C26 | C30 | C27 | 178.2° | 179.9° |
| C25 | C26 | C30 | C31 | 109.0° | 65.0° |
| C25 | C26 | C30 | C37 | 70.9° | 115.0° |
| C25 | C26 | C27 | N28 | 0.6° | 0.5° |
| C26 | C25 | C24 | H60 | 179.6° | 180.0° |
| C25 | C26 | C27 | H62 | 179.5° | 179.9° |
| C23 | C17 | N15 | H18 | 117.5° | 120.0° |
| C23 | C17 | N15 | N14 | 59.9° | 95.5° |
| C23 | C17 | N15 | C16 | 120.3° | 84.2° |
| C17 | C23 | N28 | C27 | 179.2° | 179.7° |
| C17 | C23 | N28 | O29 | 0.0° | 0.0° |
| C17 | C23 | C24 | H60 | 0.8° | 0.0° |
| C23 | C17 | C19 | H54 | 56.7° | 65.0° |
| C23 | C17 | C19 | H53 | 64.0° | 55.0° |
| N15 | C17 | C23 | N28 | 78.8° | 95.9° |
| C17 | N15 | N14 | C16 | 179.8° | 179.7° |
| C17 | N15 | N14 | C13 | 179.8° | 180.0° |
| C17 | N15 | C16 | C12 | 179.4° | 179.9° |
| C17 | N15 | C16 | H52 | 0.6° | 0.2° |
| N15 | C17 | C19 | H54 | 72.0° | 55.0° |
| N15 | C17 | C19 | H53 | 167.3° | 175.0° |
| C23 | N28 | C27 | C26 | 0.3° | 0.5° |
| C23 | N28 | C27 | O29 | 179.2° | 179.7° |
| N28 | C23 | C24 | H60 | 179.9° | 180.0° |
| C23 | N28 | C27 | H62 | 179.8° | 180.0° |
| N28 | C23 | C17 | H18 | 39.0° | 24.1° |
| F32 | C31 | C30 | C26 | 0.9° | 0.0° |
| F32 | C31 | C30 | C33 | 179.4° | 179.7° |
| F32 | C31 | C30 | C37 | 179.1° | 179.9° |
| F32 | C31 | C33 | CL34 | 0.6° | 0.3° |
| F32 | C31 | C33 | C35 | 179.5° | 180.0° |
| N15 | N14 | C13 | C12 | 0.4° | 0.0° |
| N14 | N15 | C16 | C12 | 0.5° | 0.4° |
| N15 | N14 | C13 | H51 | 179.6° | 179.8° |
| N14 | N15 | C16 | H52 | 179.5° | 179.9° |
| N14 | N15 | C17 | H18 | 177.4° | 24.5° |
| C13 | N14 | N15 | C16 | 0.1° | 0.3° |
| N14 | C13 | C12 | H51 | 180.0° | 179.8° |
| N14 | C13 | C12 | C16 | 0.6° | 0.2° |
| N14 | C13 | C12 | C9 | 178.7° | 179.8° |
| C26 | C30 | C31 | C37 | 179.9° | 179.9° |
| C26 | C30 | C31 | C33 | 179.8° | 179.7° |
| C30 | C26 | C27 | N28 | 177.7° | 179.5° |
| C26 | C30 | C37 | N38 | 1.3° | 0.1° |
| C26 | C30 | C37 | C36 | 179.8° | 180.0° |
| C30 | C26 | C25 | H61 | 2.4° | 0.0° |
| C30 | C26 | C27 | H62 | 2.3° | 0.0° |
| C27 | C26 | C30 | C31 | 69.2° | 114.9° |
| C27 | C26 | C30 | C37 | 110.9° | 65.1° |
| C26 | C27 | N28 | H62 | 180.0° | 179.5° |
| C26 | C27 | N28 | O29 | 179.0° | 179.8° |
| C27 | C26 | C25 | H61 | 179.4° | 179.9° |
| N15 | C16 | C12 | C13 | 0.6° | 0.4° |
| N15 | C16 | C12 | H52 | 180.0° | 179.6° |
| N15 | C16 | C12 | C9 | 179.1° | 179.6° |
| C16 | N15 | C17 | H18 | 2.8° | 155.8° |
| N40 | C39 | N38 | H65 | 180.0° | 179.7° |
| N40 | C39 | N38 | C37 | 173.7° | 180.0° |
| N40 | C39 | N38 | N42 | 0.4° | 0.0° |
| C39 | N40 | N41 | N42 | 0.3° | 0.0° |
| C39 | N38 | C37 | C30 | 122.2° | 180.0° |
| N38 | C39 | N40 | N41 | 0.4° | 0.0° |
| C39 | N38 | C37 | N42 | 173.3° | 179.9° |
| C39 | N38 | C37 | C36 | 56.8° | 0.1° |
| C39 | N38 | N42 | N41 | 0.1° | 0.0° |
| C30 | C31 | C33 | CL34 | 180.0° | 180.0° |
| C30 | C31 | C33 | C35 | 0.1° | 0.3° |
| C31 | C30 | C37 | N38 | 178.6° | 180.0° |
| C31 | C30 | C37 | C36 | 0.3° | 0.1° |
| C33 | C31 | C30 | C37 | 0.3° | 0.2° |
| C31 | C33 | CL34 | C35 | 179.9° | 179.7° |
| C31 | C33 | C35 | C36 | 0.5° | 0.0° |
| C31 | C33 | C35 | H63 | 179.5° | 180.0° |
| C30 | C37 | N38 | C36 | 179.0° | 179.9° |
| C30 | C37 | N38 | N42 | 51.1° | 0.1° |
| C30 | C37 | C36 | C35 | 0.1° | 0.4° |
| C30 | C37 | C36 | H64 | 179.9° | 180.0° |
| N40 | N41 | N42 | N38 | 0.1° | 0.0° |
| N41 | N40 | C39 | H65 | 179.6° | 179.8° |
| CL34 | C33 | C35 | C36 | 179.6° | 179.7° |
| CL34 | C33 | C35 | H63 | 0.4° | 0.2° |
| C33 | C35 | C36 | C37 | 0.5° | 0.4° |
| C33 | C35 | C36 | H63 | 180.0° | 179.9° |
| C33 | C35 | C36 | H64 | 179.5° | 180.0° |
| O29 | N28 | C27 | H62 | 1.0° | 0.3° |
| N38 | C37 | C36 | C35 | 179.1° | 179.7° |
| C37 | N38 | N42 | N41 | 174.2° | 180.0° |
| N38 | C37 | C36 | H64 | 0.9° | 0.1° |
| C37 | N38 | C39 | H65 | 6.3° | 0.3° |
| C36 | C37 | N38 | N42 | 130.0° | 180.0° |
| C37 | C36 | C35 | H64 | 180.0° | 179.7° |
| C37 | C36 | C35 | H63 | 179.5° | 179.7° |
| N42 | N38 | C39 | H65 | 179.7° | 179.8° |
| C13 | C12 | C16 | C9 | 178.5° | 180.0° |
| C13 | C12 | C9 | C10 | 170.8° | 0.0° |
| C13 | C12 | C9 | C8 | 12.3° | 179.9° |
| C13 | C12 | C16 | H52 | 179.4° | 180.0° |
| C16 | C12 | C9 | C10 | 11.4° | 180.0° |
| C16 | C12 | C9 | C8 | 165.6° | 0.0° |
| C16 | C12 | C13 | H51 | 179.4° | 180.0° |
| C12 | C9 | C10 | C8 | 177.1° | 180.0° |
| C12 | C9 | C10 | C11 | 177.2° | 179.4° |
| C12 | C9 | C8 | C7 | 176.7° | 180.0° |
| C12 | C9 | C8 | H48 | 3.3° | 0.2° |
| C12 | C9 | C10 | H49 | 2.8° | 0.3° |
| C9 | C12 | C13 | H51 | 1.3° | 0.0° |
| C9 | C12 | C16 | H52 | 0.9° | 0.0° |
| C9 | C10 | C11 | H49 | 180.0° | 179.1° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C9 | C10 | C11 | C6 | 0.5° | 0.9° |
| C10 | C9 | C8 | H48 | 179.8° | 179.7° |
| C9 | C10 | C11 | H50 | 179.5° | 179.1° |
| C8 | C9 | C10 | C11 | 0.1° | 0.6° |
| C9 | C8 | C7 | H48 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.0° | 0.3° |
| C8 | C9 | C10 | H49 | 180.0° | 179.7° |
| C9 | C8 | C7 | H47 | 180.0° | 179.8° |
| C10 | C11 | C6 | H50 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.8° | 0.6° |
| C10 | C11 | C6 | N5 | 178.9° | 179.4° |
| C8 | C7 | C6 | C11 | 0.5° | 0.0° |
| C8 | C7 | C6 | H47 | 180.0° | 180.0° |
| C8 | C7 | C6 | N5 | 179.1° | 180.0° |
| C11 | C6 | C7 | N5 | 179.6° | 180.0° |
| C11 | C6 | N5 | C3 | 150.4° | 35.4° |
| C6 | C11 | C10 | H49 | 179.5° | 180.0° |
| C11 | C6 | C7 | H47 | 179.5° | 180.0° |
| C11 | C6 | N5 | H46 | 29.6° | 144.6° |
| C7 | C6 | N5 | C3 | 30.0° | 144.6° |
| C6 | C7 | C8 | H48 | 180.0° | 180.0° |
| C7 | C6 | C11 | H50 | 179.2° | 179.4° |
| C7 | C6 | N5 | H46 | 150.1° | 35.3° |
| C6 | N5 | C3 | H46 | 180.0° | 180.0° |
| C6 | N5 | C3 | O2 | 34.0° | 175.3° |
| C6 | N5 | C3 | O4 | 148.8° | 4.6° |
| N5 | C6 | C7 | H47 | 1.0° | 0.0° |
| N5 | C6 | C11 | H50 | 1.1° | 0.6° |
| N5 | C3 | O2 | O4 | 177.2° | 179.9° |
| N5 | C3 | O2 | C1 | 164.3° | 180.0° |
| C3 | O2 | C1 | H45 | 180.0° | 179.9° |
| C3 | O2 | C1 | H43 | 60.0° | 60.1° |
| C3 | O2 | C1 | H44 | 60.0° | 59.9° |
| O2 | C3 | N5 | H46 | 146.1° | 4.6° |
| O4 | C3 | O2 | C1 | 12.9° | 0.1° |
| O4 | C3 | N5 | H46 | 31.1° | 175.4° |
| O2 | C1 | H45 | H43 | 120.0° | 120.0° |
| O2 | C1 | H45 | H44 | 120.0° | 120.1° |
| O2 | C1 | H43 | H44 | 120.0° | 120.0° |
| H48 | C8 | C7 | H47 | 0.0° | 0.0° |
| H49 | C10 | C11 | H50 | 0.5° | 0.0° |
| H61 | C25 | C24 | H60 | 0.4° | 0.4° |
| H64 | C36 | C35 | H63 | 0.5° | 0.1° |
| H56 | C21 | C22 | H59 | 0.1° | 145.0° |
| H56 | C21 | C22 | H58 | 141.1° | 0.0° |
| H56 | C21 | C20 | H55 | 144.4° | 0.0° |
| H57 | C21 | C22 | H59 | 141.1° | 0.0° |
| H57 | C21 | C22 | H58 | 0.1° | 145.0° |
| H57 | C21 | C20 | H55 | 3.3° | 145.1° |
| H59 | C22 | C20 | H55 | 144.5° | 145.0° |
| H58 | C22 | C20 | H55 | 3.5° | 0.0° |
| H55 | C20 | C19 | H54 | 36.0° | 90.7° |
| H55 | C20 | C19 | H53 | 156.7° | 149.3° |
| H45 | C1 | H43 | H44 | 120.0° | 120.0° |
| H54 | C19 | C17 | H18 | 172.5° | 175.0° |
| H53 | C19 | C17 | H18 | 51.7° | 65.0° |
