XRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C27 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C10 | sing | 1.47Å | 1.47Å | |
| C6 | N7 | sing | 1.36Å | 1.40Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | |
| C8 | N9 | sing | 1.36Å | 1.42Å | |
| N9 | C10 | sing | 1.35Å | 1.45Å | |
| N9 | C12 | sing | 1.47Å | 1.48Å | |
| C10 | O11 | doub | 1.22Å | 1.27Å | |
| C12 | C13 | sing | 1.51Å | 1.57Å | |
| C13 | N14 | sing | 1.35Å | 1.38Å | |
| C13 | O15 | doub | 1.21Å | 1.25Å | |
| N14 | C16 | sing | 1.47Å | 1.48Å | |
| N14 | C23 | sing | 1.46Å | 1.50Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C17 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | C25 | sing | 1.43Å | 1.41Å | |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | CL24 | sing | 1.74Å | 1.75Å | |
| C25 | N26 | trip | 1.14Å | 1.15Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C27 | C32 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | N30 | sing | 1.47Å | 1.50Å | |
| N30 | C31 | sing | 1.47Å | 1.51Å | |
| N30 | C33 | sing | 1.35Å | 1.41Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C33 | O34 | doub | 1.21Å | 1.25Å | |
| C33 | C35 | sing | 1.51Å | 1.53Å | |
| C35 | O36 | sing | 1.43Å | 1.40Å | |
| O36 | C37 | sing | 1.43Å | 1.38Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.08Å | 1.08Å | |
| C20 | H47 | sing | 1.08Å | 1.08Å | |
| C22 | H48 | sing | 1.08Å | 1.08Å | |
| C23 | H50 | sing | 1.09Å | 1.10Å | |
| C23 | H49 | sing | 1.09Å | 1.10Å | |
| C23 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H54 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.08Å | 1.08Å | |
| C3 | H39 | sing | 1.08Å | 1.08Å | |
| C4 | H40 | sing | 1.08Å | 1.08Å | |
| C8 | H41 | sing | 1.08Å | 1.08Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 118.9° | 120.5° |
| C2 | C1 | C27 | 117.6° | 119.7° |
| C1 | C2 | C3 | 120.7° | 120.8° |
| C1 | C2 | H38 | 119.6° | 119.6° |
| C4 | C1 | C27 | 123.3° | 119.8° |
| C1 | C4 | C5 | 122.4° | 119.5° |
| C1 | C4 | H40 | 118.8° | 120.2° |
| C1 | C27 | C28 | 115.6° | 109.5° |
| C1 | C27 | C32 | 108.3° | 109.5° |
| C1 | C27 | H52 | 108.3° | 109.4° |
| C2 | C3 | C6 | 121.0° | 119.6° |
| C3 | C2 | H38 | 119.7° | 119.6° |
| C2 | C3 | H39 | 119.5° | 120.2° |
| C3 | C6 | C5 | 118.3° | 119.4° |
| C3 | C6 | N7 | 119.8° | 121.6° |
| C6 | C3 | H39 | 119.5° | 120.2° |
| C4 | C5 | C6 | 118.6° | 120.1° |
| C4 | C5 | C10 | 123.0° | 121.9° |
| C5 | C4 | H40 | 118.8° | 120.3° |
| C6 | C5 | C10 | 118.4° | 118.0° |
| C5 | C6 | N7 | 121.9° | 119.0° |
| C5 | C10 | N9 | 115.5° | 117.4° |
| C5 | C10 | O11 | 125.0° | 121.3° |
| C6 | N7 | C8 | 120.3° | 121.6° |
| N7 | C8 | N9 | 122.3° | 123.4° |
| N7 | C8 | H41 | 118.8° | 118.3° |
| C8 | N9 | C10 | 121.6° | 120.6° |
| C8 | N9 | C12 | 115.5° | 119.7° |
| N9 | C8 | H41 | 118.8° | 118.3° |
| C10 | N9 | C12 | 122.9° | 119.7° |
| N9 | C10 | O11 | 119.5° | 121.3° |
| N9 | C12 | C13 | 108.0° | 109.5° |
| N9 | C12 | H43 | 109.9° | 109.5° |
| N9 | C12 | H42 | 109.8° | 109.5° |
| C12 | C13 | N14 | 118.4° | 120.0° |
| C12 | C13 | O15 | 120.3° | 120.0° |
| C13 | C12 | H43 | 109.8° | 109.5° |
| C13 | C12 | H42 | 109.9° | 109.5° |
| N14 | C13 | O15 | 121.2° | 120.0° |
| C13 | N14 | C16 | 119.8° | 120.0° |
| C13 | N14 | C23 | 124.4° | 120.0° |
| C16 | N14 | C23 | 115.8° | 120.0° |
| N14 | C16 | C17 | 113.6° | 109.5° |
| N14 | C16 | H44 | 108.4° | 109.5° |
| N14 | C16 | H45 | 108.4° | 109.5° |
| N14 | C23 | H50 | 109.5° | 109.5° |
| N14 | C23 | H49 | 109.5° | 109.5° |
| N14 | C23 | H51 | 109.5° | 109.5° |
| C16 | C17 | C18 | 119.5° | 119.9° |
| C16 | C17 | C22 | 118.8° | 119.8° |
| C17 | C16 | H44 | 108.4° | 109.5° |
| C17 | C16 | H45 | 108.5° | 109.4° |
| C18 | C17 | C22 | 121.4° | 120.3° |
| C17 | C18 | C21 | 116.1° | 120.1° |
| C17 | C18 | H46 | 122.0° | 119.9° |
| C17 | C22 | C20 | 120.4° | 120.1° |
| C17 | C22 | H48 | 119.8° | 120.0° |
| C18 | C21 | C19 | 121.8° | 119.8° |
| C18 | C21 | CL24 | 120.8° | 120.1° |
| C21 | C18 | H46 | 121.9° | 119.9° |
| C20 | C19 | C21 | 120.8° | 119.7° |
| C20 | C19 | C25 | 117.7° | 120.2° |
| C19 | C20 | C22 | 119.4° | 119.9° |
| C19 | C20 | H47 | 120.3° | 120.0° |
| C21 | C19 | C25 | 121.6° | 120.1° |
| C19 | C21 | CL24 | 117.2° | 120.1° |
| C19 | C25 | N26 | 178.6° | 180.0° |
| C22 | C20 | H47 | 120.3° | 120.1° |
| C20 | C22 | H48 | 119.8° | 119.9° |
| C28 | C27 | C32 | 109.4° | 109.5° |
| C27 | C28 | C29 | 110.2° | 109.3° |
| C28 | C27 | H52 | 107.5° | 109.4° |
| C27 | C28 | H53 | 109.3° | 109.5° |
| C27 | C28 | H54 | 109.3° | 109.5° |
| C27 | C32 | C31 | 108.0° | 109.4° |
| C32 | C27 | H52 | 107.6° | 109.4° |
| C27 | C32 | H60 | 109.9° | 109.5° |
| C27 | C32 | H59 | 109.9° | 109.5° |
| C28 | C29 | N30 | 111.7° | 108.8° |
| C29 | C28 | H53 | 109.3° | 109.5° |
| C29 | C28 | H54 | 109.3° | 109.5° |
| C28 | C29 | H55 | 108.9° | 109.6° |
| C28 | C29 | H56 | 108.9° | 109.6° |
| C29 | N30 | C31 | 114.2° | 118.8° |
| C29 | N30 | C33 | 124.0° | 120.6° |
| N30 | C29 | H55 | 108.9° | 109.6° |
| N30 | C29 | H56 | 108.9° | 109.6° |
| C31 | N30 | C33 | 121.7° | 120.6° |
| N30 | C31 | C32 | 106.4° | 108.7° |
| N30 | C31 | H57 | 110.2° | 109.6° |
| N30 | C31 | H58 | 110.2° | 109.6° |
| N30 | C33 | O34 | 124.0° | 120.0° |
| N30 | C33 | C35 | 115.1° | 120.0° |
| C32 | C31 | H57 | 110.2° | 109.6° |
| C32 | C31 | H58 | 110.2° | 109.6° |
| C31 | C32 | H60 | 109.9° | 109.5° |
| C31 | C32 | H59 | 109.8° | 109.5° |
| O34 | C33 | C35 | 120.9° | 120.0° |
| C33 | C35 | O36 | 103.3° | 109.5° |
| C33 | C35 | H62 | 111.0° | 109.5° |
| C33 | C35 | H61 | 111.0° | 109.5° |
| C35 | O36 | C37 | 110.7° | 114.0° |
| O36 | C35 | H62 | 111.0° | 109.5° |
| O36 | C35 | H61 | 111.0° | 109.5° |
| O36 | C37 | H63 | 109.5° | 109.5° |
| O36 | C37 | H65 | 109.4° | 109.4° |
| O36 | C37 | H64 | 109.5° | 109.5° |
| H44 | C16 | H45 | 109.5° | 109.5° |
| H50 | C23 | H49 | 109.5° | 109.4° |
| H50 | C23 | H51 | 109.5° | 109.4° |
| H49 | C23 | H51 | 109.5° | 109.5° |
| H53 | C28 | H54 | 109.5° | 109.5° |
| H43 | C12 | H42 | 109.5° | 109.5° |
| H55 | C29 | H56 | 109.5° | 109.6° |
| H57 | C31 | H58 | 109.5° | 109.7° |
| H60 | C32 | H59 | 109.5° | 109.5° |
| H62 | C35 | H61 | 109.5° | 109.4° |
| H63 | C37 | H65 | 109.5° | 109.5° |
| H63 | C37 | H64 | 109.4° | 109.5° |
| H65 | C37 | H64 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | C27 | 175.6° | 179.9° |
| C1 | C2 | C3 | H38 | 180.0° | 179.9° |
| C1 | C2 | C3 | C6 | 0.4° | 0.1° |
| C2 | C1 | C4 | C5 | 2.3° | 0.0° |
| C2 | C1 | C27 | C28 | 167.8° | 60.0° |
| C2 | C1 | C27 | C32 | 69.1° | 60.1° |
| C2 | C1 | C27 | H52 | 47.3° | 179.9° |
| C1 | C2 | C3 | H39 | 179.7° | 180.0° |
| C2 | C1 | C4 | H40 | 177.8° | 180.0° |
| C4 | C1 | C2 | C3 | 2.5° | 0.1° |
| C1 | C4 | C5 | H40 | 180.0° | 180.0° |
| C1 | C4 | C5 | C6 | 0.0° | 0.0° |
| C1 | C4 | C5 | C10 | 179.1° | 180.0° |
| C4 | C1 | C27 | C28 | 16.5° | 120.1° |
| C4 | C1 | C27 | C32 | 106.6° | 119.8° |
| C4 | C1 | C27 | H52 | 137.1° | 0.1° |
| C4 | C1 | C2 | H38 | 177.5° | 180.0° |
| C27 | C1 | C2 | C3 | 173.4° | 180.0° |
| C27 | C1 | C4 | C5 | 173.4° | 179.9° |
| C1 | C27 | C28 | C32 | 122.6° | 120.1° |
| C1 | C27 | C28 | H52 | 121.0° | 120.0° |
| C1 | C27 | C32 | H52 | 116.8° | 120.0° |
| C1 | C27 | C28 | C29 | 176.9° | 178.6° |
| C1 | C27 | C32 | C31 | 169.7° | 178.6° |
| C1 | C27 | C28 | H53 | 63.0° | 58.6° |
| C1 | C27 | C28 | H54 | 56.8° | 61.5° |
| C27 | C1 | C2 | H38 | 6.6° | 0.0° |
| C27 | C1 | C4 | H40 | 6.6° | 0.1° |
| C1 | C27 | C32 | H60 | 70.5° | 61.4° |
| C1 | C27 | C32 | H59 | 49.9° | 58.6° |
| C2 | C3 | C6 | H39 | 180.0° | 180.0° |
| C2 | C3 | C6 | C5 | 1.9° | 0.0° |
| C2 | C3 | C6 | N7 | 177.5° | 180.0° |
| C3 | C6 | C5 | C4 | 2.1° | 0.1° |
| C3 | C6 | C5 | N7 | 179.5° | 180.0° |
| C3 | C6 | C5 | C10 | 178.8° | 180.0° |
| C3 | C6 | N7 | C8 | 179.7° | 180.0° |
| C6 | C3 | C2 | H38 | 179.7° | 180.0° |
| C4 | C5 | C6 | C10 | 179.1° | 179.9° |
| C4 | C5 | C6 | N7 | 177.3° | 180.0° |
| C4 | C5 | C10 | N9 | 176.9° | 179.7° |
| C4 | C5 | C10 | O11 | 5.5° | 0.0° |
| C5 | C6 | N7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C10 | N9 | 2.1° | 0.2° |
| C6 | C5 | C10 | O11 | 175.5° | 179.9° |
| C5 | C6 | C3 | H39 | 178.0° | 179.9° |
| C6 | C5 | C4 | H40 | 179.9° | 179.9° |
| C10 | C5 | C6 | N7 | 1.8° | 0.1° |
| C5 | C10 | N9 | C8 | 1.3° | 0.5° |
| C5 | C10 | N9 | O11 | 177.8° | 179.7° |
| C5 | C10 | N9 | C12 | 175.9° | 179.9° |
| C10 | C5 | C4 | H40 | 0.9° | 0.0° |
| C6 | N7 | C8 | N9 | 0.7° | 0.3° |
| N7 | C6 | C3 | H39 | 2.5° | 0.0° |
| C6 | N7 | C8 | H41 | 179.3° | 180.0° |
| N7 | C8 | N9 | H41 | 180.0° | 179.8° |
| N7 | C8 | N9 | C10 | 0.2° | 0.6° |
| N7 | C8 | N9 | C12 | 177.6° | 180.0° |
| C8 | N9 | C10 | C12 | 177.2° | 179.4° |
| C8 | N9 | C10 | O11 | 176.5° | 179.8° |
| C8 | N9 | C12 | C13 | 111.4° | 90.1° |
| C8 | N9 | C12 | H43 | 128.8° | 30.0° |
| C8 | N9 | C12 | H42 | 8.4° | 149.9° |
| C10 | N9 | C12 | C13 | 66.0° | 90.5° |
| C10 | N9 | C8 | H41 | 179.8° | 179.7° |
| C10 | N9 | C12 | H43 | 53.8° | 149.5° |
| C10 | N9 | C12 | H42 | 174.3° | 29.5° |
| C12 | N9 | C10 | O11 | 6.3° | 0.4° |
| N9 | C12 | C13 | H43 | 119.8° | 120.0° |
| N9 | C12 | C13 | H42 | 119.8° | 120.0° |
| N9 | C12 | C13 | N14 | 156.9° | 180.0° |
| N9 | C12 | C13 | O15 | 20.9° | 0.1° |
| C12 | N9 | C8 | H41 | 2.4° | 0.2° |
| N9 | C12 | H43 | H42 | 120.7° | 120.0° |
| C12 | C13 | N14 | O15 | 177.8° | 179.9° |
| C12 | C13 | N14 | C16 | 179.3° | 180.0° |
| C12 | C13 | N14 | C23 | 1.0° | 0.0° |
| C13 | C12 | H43 | H42 | 120.7° | 120.0° |
| C13 | N14 | C16 | C23 | 178.5° | 180.0° |
| C13 | N14 | C16 | C17 | 71.0° | 90.0° |
| C13 | N14 | C16 | H44 | 168.4° | 30.0° |
| C13 | N14 | C16 | H45 | 49.6° | 150.0° |
| C13 | N14 | C23 | H50 | 180.0° | 90.0° |
| C13 | N14 | C23 | H49 | 60.0° | 150.0° |
| C13 | N14 | C23 | H51 | 60.0° | 30.0° |
| N14 | C13 | C12 | H43 | 37.1° | 60.0° |
| N14 | C13 | C12 | H42 | 83.3° | 60.0° |
| O15 | C13 | N14 | C16 | 2.8° | 0.0° |
| O15 | C13 | N14 | C23 | 178.8° | 180.0° |
| O15 | C13 | C12 | H43 | 140.7° | 120.0° |
| O15 | C13 | C12 | H42 | 98.8° | 120.1° |
| N14 | C16 | C17 | H44 | 120.6° | 120.0° |
| N14 | C16 | C17 | H45 | 120.6° | 120.0° |
| N14 | C16 | C17 | C18 | 38.9° | 90.0° |
| N14 | C16 | C17 | C22 | 147.1° | 90.2° |
| N14 | C16 | H44 | H45 | 118.1° | 120.0° |
| C16 | N14 | C23 | H50 | 1.6° | 90.0° |
| C16 | N14 | C23 | H49 | 121.6° | 30.0° |
| C16 | N14 | C23 | H51 | 118.4° | 150.0° |
| C23 | N14 | C16 | C17 | 110.5° | 90.0° |
| C23 | N14 | C16 | H44 | 10.1° | 150.0° |
| C23 | N14 | C16 | H45 | 128.8° | 30.0° |
| N14 | C23 | H50 | H49 | 120.0° | 120.0° |
| N14 | C23 | H50 | H51 | 120.0° | 120.0° |
| N14 | C23 | H49 | H51 | 120.0° | 120.0° |
| C16 | C17 | C18 | C22 | 173.9° | 179.8° |
| C16 | C17 | C18 | C21 | 171.1° | 180.0° |
| C16 | C17 | C22 | C20 | 172.4° | 180.0° |
| C17 | C16 | H44 | H45 | 118.1° | 119.9° |
| C16 | C17 | C18 | H46 | 8.9° | 0.1° |
| C16 | C17 | C22 | H48 | 7.6° | 0.1° |
| C17 | C18 | C21 | H46 | 180.0° | 179.9° |
| C17 | C18 | C21 | C19 | 2.4° | 0.1° |
| C18 | C17 | C22 | C20 | 1.5° | 0.2° |
| C17 | C18 | C21 | CL24 | 172.5° | 180.0° |
| C18 | C17 | C16 | H44 | 81.7° | 150.0° |
| C18 | C17 | C16 | H45 | 159.5° | 30.1° |
| C18 | C17 | C22 | H48 | 178.5° | 179.7° |
| C22 | C17 | C18 | C21 | 2.8° | 0.2° |
| C17 | C22 | C20 | C19 | 0.3° | 0.0° |
| C17 | C22 | C20 | H48 | 180.0° | 180.0° |
| C22 | C17 | C16 | H44 | 92.3° | 29.8° |
| C22 | C17 | C16 | H45 | 26.5° | 149.7° |
| C22 | C17 | C18 | H46 | 177.2° | 179.7° |
| C17 | C22 | C20 | H47 | 179.6° | 179.8° |
| C18 | C21 | C19 | C20 | 0.7° | 0.3° |
| C18 | C21 | C19 | CL24 | 175.0° | 179.9° |
| C18 | C21 | C19 | C25 | 179.0° | 180.0° |
| C20 | C19 | C21 | C25 | 179.7° | 179.8° |
| C19 | C20 | C22 | H47 | 180.0° | 179.8° |
| C20 | C19 | C21 | CL24 | 174.4° | 179.8° |
| C20 | C19 | C25 | N26 | 90.5° | 21.2° |
| C19 | C20 | C22 | H48 | 179.7° | 180.0° |
| C21 | C19 | C20 | C22 | 0.7° | 0.2° |
| C21 | C19 | C25 | N26 | 89.2° | 158.6° |
| C19 | C21 | C18 | H46 | 177.6° | 180.0° |
| C21 | C19 | C20 | H47 | 179.2° | 180.0° |
| C25 | C19 | C20 | C22 | 179.6° | 180.0° |
| C25 | C19 | C21 | CL24 | 6.0° | 0.0° |
| C25 | C19 | C20 | H47 | 0.5° | 0.2° |
| CL24 | C21 | C18 | H46 | 7.5° | 0.1° |
| C28 | C27 | C32 | H52 | 116.4° | 120.0° |
| C27 | C28 | C29 | H53 | 120.1° | 120.0° |
| C27 | C28 | C29 | H54 | 120.1° | 119.9° |
| C27 | C28 | C29 | N30 | 49.2° | 54.6° |
| C28 | C27 | C32 | C31 | 63.5° | 61.3° |
| C27 | C28 | H53 | H54 | 119.7° | 120.0° |
| C27 | C28 | C29 | H55 | 71.1° | 65.2° |
| C27 | C28 | C29 | H56 | 169.6° | 174.4° |
| C28 | C27 | C32 | H60 | 56.2° | 58.6° |
| C28 | C27 | C32 | H59 | 176.7° | 178.7° |
| C32 | C27 | C28 | C29 | 54.4° | 61.3° |
| C27 | C32 | C31 | N30 | 65.1° | 54.6° |
| C27 | C32 | C31 | H60 | 119.8° | 120.0° |
| C27 | C32 | C31 | H59 | 119.8° | 120.0° |
| C32 | C27 | C28 | H53 | 174.5° | 178.7° |
| C32 | C27 | C28 | H54 | 65.7° | 58.6° |
| C27 | C32 | C31 | H57 | 54.4° | 65.1° |
| C27 | C32 | C31 | H58 | 175.3° | 174.4° |
| C27 | C32 | H60 | H59 | 120.7° | 120.0° |
| C28 | C29 | N30 | H55 | 120.3° | 119.8° |
| C28 | C29 | N30 | H56 | 120.3° | 119.8° |
| C28 | C29 | N30 | C31 | 54.7° | 53.6° |
| C28 | C29 | N30 | C33 | 121.3° | 126.4° |
| C29 | C28 | C27 | H52 | 62.1° | 58.7° |
| C29 | C28 | H53 | H54 | 119.6° | 120.1° |
| C28 | C29 | H55 | H56 | 119.0° | 120.3° |
| C29 | N30 | C31 | C33 | 176.1° | 180.0° |
| C29 | N30 | C31 | C32 | 62.3° | 53.5° |
| C29 | N30 | C33 | O34 | 174.8° | 0.1° |
| C29 | N30 | C33 | C35 | 6.1° | 180.0° |
| N30 | C29 | C28 | H53 | 169.4° | 174.5° |
| N30 | C29 | C28 | H54 | 70.9° | 65.3° |
| N30 | C29 | H55 | H56 | 119.0° | 120.4° |
| C29 | N30 | C31 | H57 | 57.2° | 66.2° |
| C29 | N30 | C31 | H58 | 178.2° | 173.4° |
| N30 | C31 | C32 | H57 | 119.5° | 119.7° |
| N30 | C31 | C32 | H58 | 119.5° | 119.8° |
| C31 | N30 | C33 | O34 | 1.0° | 180.0° |
| C31 | N30 | C33 | C35 | 178.1° | 0.0° |
| C31 | N30 | C29 | H55 | 65.6° | 66.2° |
| C31 | N30 | C29 | H56 | 175.1° | 173.4° |
| N30 | C31 | H57 | H58 | 121.4° | 120.4° |
| N30 | C31 | C32 | H60 | 54.6° | 65.4° |
| N30 | C31 | C32 | H59 | 175.1° | 174.6° |
| C33 | N30 | C31 | C32 | 113.8° | 126.5° |
| N30 | C33 | O34 | C35 | 179.0° | 179.9° |
| N30 | C33 | C35 | O36 | 174.3° | 180.0° |
| C33 | N30 | C29 | H55 | 118.4° | 113.8° |
| C33 | N30 | C29 | H56 | 0.9° | 6.6° |
| C33 | N30 | C31 | H57 | 126.7° | 113.8° |
| C33 | N30 | C31 | H58 | 5.7° | 6.6° |
| N30 | C33 | C35 | H62 | 66.7° | 60.0° |
| N30 | C33 | C35 | H61 | 55.3° | 60.0° |
| C31 | C32 | C27 | H52 | 52.9° | 58.6° |
| C32 | C31 | H57 | H58 | 121.4° | 120.4° |
| C31 | C32 | H60 | H59 | 120.7° | 120.1° |
| O34 | C33 | C35 | O36 | 6.6° | 0.1° |
| O34 | C33 | C35 | H62 | 112.5° | 120.0° |
| O34 | C33 | C35 | H61 | 125.6° | 120.1° |
| C33 | C35 | O36 | H62 | 119.0° | 120.0° |
| C33 | C35 | O36 | H61 | 119.0° | 120.0° |
| C33 | C35 | O36 | C37 | 166.7° | 180.0° |
| C33 | C35 | H62 | H61 | 122.9° | 120.0° |
| O36 | C35 | H62 | H61 | 122.9° | 120.0° |
| C35 | O36 | C37 | H63 | 180.0° | 60.0° |
| C35 | O36 | C37 | H65 | 60.0° | 60.1° |
| C35 | O36 | C37 | H64 | 60.0° | 180.0° |
| C37 | O36 | C35 | H62 | 74.3° | 60.0° |
| C37 | O36 | C35 | H61 | 47.7° | 60.0° |
| O36 | C37 | H63 | H65 | 120.0° | 120.0° |
| O36 | C37 | H63 | H64 | 120.0° | 120.0° |
| O36 | C37 | H65 | H64 | 120.0° | 119.9° |
| H47 | C20 | C22 | H48 | 0.4° | 0.2° |
| H50 | C23 | H49 | H51 | 120.0° | 119.9° |
| H52 | C27 | C28 | H53 | 58.0° | 61.3° |
| H52 | C27 | C28 | H54 | 177.8° | 178.6° |
| H52 | C27 | C32 | H60 | 172.6° | 178.6° |
| H52 | C27 | C32 | H59 | 66.9° | 61.4° |
| H53 | C28 | C29 | H55 | 49.0° | 54.7° |
| H53 | C28 | C29 | H56 | 70.3° | 65.6° |
| H54 | C28 | C29 | H55 | 168.8° | 174.9° |
| H54 | C28 | C29 | H56 | 49.5° | 54.5° |
| H38 | C2 | C3 | H39 | 0.3° | 0.0° |
| H57 | C31 | C32 | H60 | 174.1° | 174.9° |
| H57 | C31 | C32 | H59 | 65.4° | 54.8° |
| H58 | C31 | C32 | H60 | 64.9° | 54.5° |
| H58 | C31 | C32 | H59 | 55.6° | 65.6° |
| H63 | C37 | H65 | H64 | 120.0° | 120.0° |
