H1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | S9 | sing | 1.76Å | 1.69Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| N7 | C8 | doub | 1.29Å | 1.36Å | Aromatic |
| C8 | S9 | sing | 1.76Å | 1.74Å | Aromatic |
| C8 | N10 | sing | 1.38Å | 1.36Å | |
| N10 | N11 | sing | 1.40Å | 1.32Å | |
| N11 | C12 | doub | 1.30Å | 1.26Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | sing | 1.46Å | 1.48Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | O18 | sing | 1.35Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C17 | O18 | sing | 1.35Å | 1.37Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.50Å | |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | S25 | sing | 1.76Å | 1.60Å | |
| S25 | O25 | doub | 1.42Å | 1.44Å | |
| S25 | O26 | doub | 1.42Å | 1.43Å | |
| S25 | N26 | sing | 1.66Å | 1.51Å | |
| N26 | C27 | sing | 1.35Å | 1.32Å | |
| C27 | O27 | doub | 1.21Å | 1.22Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 120.5° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C2 | C1 | H1 | 120.1° | 119.8° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C1 | C6 | C5 | 119.8° | 120.5° |
| C6 | C1 | H1 | 120.0° | 119.7° |
| C1 | C6 | H6 | 120.1° | 119.7° |
| C2 | C3 | C4 | 119.3° | 120.2° |
| C3 | C2 | H2 | 119.7° | 120.1° |
| C2 | C3 | H3 | 120.4° | 119.8° |
| C3 | C4 | C5 | 120.5° | 120.4° |
| C3 | C4 | S9 | 119.9° | 131.2° |
| C4 | C3 | H3 | 120.3° | 119.9° |
| C5 | C4 | S9 | 119.6° | 108.4° |
| C4 | C5 | C6 | 119.8° | 118.3° |
| C4 | C5 | N7 | 108.7° | 112.9° |
| C4 | S9 | C8 | 82.7° | 90.5° |
| C6 | C5 | N7 | 131.4° | 128.7° |
| C5 | C6 | H6 | 120.1° | 119.8° |
| C5 | N7 | C8 | 110.0° | 117.8° |
| N7 | C8 | S9 | 119.0° | 110.4° |
| N7 | C8 | N10 | 121.0° | 124.8° |
| S9 | C8 | N10 | 120.1° | 124.8° |
| C8 | N10 | N11 | 121.7° | 120.0° |
| C8 | N10 | H10 | 119.2° | 120.0° |
| N10 | N11 | C12 | 121.9° | 120.0° |
| N11 | N10 | H10 | 119.1° | 120.0° |
| N11 | C12 | C13 | 121.2° | 120.0° |
| N11 | C12 | C14 | 120.6° | 120.0° |
| C13 | C12 | C14 | 118.1° | 120.0° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.4° | 109.5° |
| C12 | C14 | C15 | 135.7° | 126.0° |
| C12 | C14 | O18 | 112.4° | 125.9° |
| C15 | C14 | O18 | 111.9° | 108.1° |
| C14 | C15 | C16 | 105.1° | 106.7° |
| C14 | C15 | H15 | 127.4° | 126.6° |
| C14 | O18 | C17 | 106.1° | 109.3° |
| C15 | C16 | C17 | 108.4° | 107.1° |
| C16 | C15 | H15 | 127.5° | 126.6° |
| C15 | C16 | H16 | 125.8° | 126.5° |
| C16 | C17 | O18 | 108.5° | 108.7° |
| C16 | C17 | C19 | 127.3° | 125.7° |
| C17 | C16 | H16 | 125.8° | 126.4° |
| O18 | C17 | C19 | 124.2° | 125.6° |
| C17 | C19 | C20 | 118.5° | 120.1° |
| C17 | C19 | C24 | 121.2° | 120.2° |
| C20 | C19 | C24 | 120.3° | 119.7° |
| C19 | C20 | C21 | 120.2° | 119.8° |
| C19 | C20 | H20 | 119.9° | 120.1° |
| C19 | C24 | C23 | 119.5° | 119.8° |
| C19 | C24 | H24 | 120.3° | 120.1° |
| C20 | C21 | C22 | 119.7° | 120.2° |
| C21 | C20 | H20 | 119.9° | 120.1° |
| C20 | C21 | H21 | 120.2° | 119.9° |
| C21 | C22 | C23 | 120.3° | 120.3° |
| C22 | C21 | H21 | 120.1° | 119.9° |
| C21 | C22 | H22 | 119.9° | 119.8° |
| C22 | C23 | C24 | 120.0° | 120.1° |
| C22 | C23 | S25 | 119.8° | 120.0° |
| C23 | C22 | H22 | 119.8° | 119.8° |
| C24 | C23 | S25 | 120.2° | 119.9° |
| C23 | C24 | H24 | 120.3° | 120.1° |
| C23 | S25 | O25 | 111.7° | 106.4° |
| C23 | S25 | O26 | 107.0° | 106.4° |
| C23 | S25 | N26 | 111.2° | 107.2° |
| O25 | S25 | O26 | 108.5° | 123.1° |
| O25 | S25 | N26 | 108.2° | 106.4° |
| O26 | S25 | N26 | 110.4° | 106.4° |
| S25 | N26 | C27 | 119.7° | 120.1° |
| S25 | N26 | H26 | 120.1° | 120.0° |
| N26 | C27 | O27 | 124.6° | 120.0° |
| N26 | C27 | C28 | 115.2° | 120.0° |
| C27 | N26 | H26 | 120.1° | 120.0° |
| O27 | C27 | C28 | 120.3° | 120.0° |
| C27 | C28 | C29 | 108.2° | 109.5° |
| C27 | C28 | H281 | 109.8° | 109.5° |
| C27 | C28 | H282 | 109.8° | 109.5° |
| C28 | C29 | C30 | 106.5° | 109.5° |
| C29 | C28 | H281 | 109.8° | 109.5° |
| C29 | C28 | H282 | 109.8° | 109.4° |
| C28 | C29 | H291 | 110.2° | 109.5° |
| C28 | C29 | H292 | 110.2° | 109.4° |
| C29 | C30 | C31 | 113.0° | 109.5° |
| C30 | C29 | H291 | 110.2° | 109.5° |
| C30 | C29 | H292 | 110.2° | 109.5° |
| C29 | C30 | H301 | 108.6° | 109.5° |
| C29 | C30 | H302 | 108.6° | 109.5° |
| C30 | C31 | C32 | 106.2° | 109.5° |
| C31 | C30 | H301 | 108.6° | 109.5° |
| C31 | C30 | H302 | 108.6° | 109.5° |
| C30 | C31 | H311 | 110.3° | 109.5° |
| C30 | C31 | H312 | 110.3° | 109.4° |
| C31 | C32 | C33 | 107.9° | 109.5° |
| C32 | C31 | H311 | 110.3° | 109.5° |
| C32 | C31 | H312 | 110.3° | 109.5° |
| C31 | C32 | H321 | 109.8° | 109.4° |
| C31 | C32 | H322 | 109.9° | 109.5° |
| C32 | C33 | C34 | 119.3° | 120.0° |
| C32 | C33 | C38 | 120.6° | 120.0° |
| C33 | C32 | H321 | 109.8° | 109.4° |
| C33 | C32 | H322 | 109.8° | 109.5° |
| C34 | C33 | C38 | 120.1° | 120.0° |
| C33 | C34 | C35 | 119.7° | 120.0° |
| C33 | C34 | H34 | 120.2° | 120.0° |
| C33 | C38 | C37 | 120.2° | 120.0° |
| C33 | C38 | H38 | 119.9° | 120.0° |
| C34 | C35 | C36 | 120.5° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C34 | C35 | H35 | 119.7° | 120.0° |
| C35 | C36 | C37 | 119.6° | 120.0° |
| C36 | C35 | H35 | 119.7° | 120.0° |
| C35 | C36 | H36 | 120.2° | 120.0° |
| C36 | C37 | C38 | 119.9° | 120.0° |
| C37 | C36 | H36 | 120.2° | 119.9° |
| C36 | C37 | H37 | 120.0° | 120.1° |
| C37 | C38 | H38 | 119.9° | 120.0° |
| C38 | C37 | H37 | 120.1° | 119.9° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C6 | C5 | 0.0° | 0.1° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N7 | 179.5° | 180.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | S9 | 179.4° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | S9 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C3 | C4 | C5 | N7 | 179.9° | 180.0° |
| C3 | C4 | S9 | C8 | 179.9° | 180.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C4 | C5 | C6 | N7 | 179.3° | 179.9° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | S9 | C8 | 0.0° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C3 | H3 | 179.6° | 179.9° |
| S9 | C4 | C5 | C6 | 179.5° | 180.0° |
| S9 | C4 | C5 | N7 | 0.0° | 0.0° |
| C4 | S9 | C8 | N7 | 0.1° | 0.0° |
| C4 | S9 | C8 | N10 | 179.9° | 180.0° |
| S9 | C4 | C3 | H3 | 0.6° | 0.0° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.7° |
| C5 | N7 | C8 | S9 | 0.1° | 0.0° |
| C5 | N7 | C8 | N10 | 179.8° | 180.0° |
| N7 | C5 | C6 | H6 | 0.5° | 0.0° |
| N7 | C8 | S9 | N10 | 179.9° | 180.0° |
| N7 | C8 | N10 | N11 | 179.5° | 180.0° |
| N7 | C8 | N10 | H10 | 0.5° | 0.0° |
| S9 | C8 | N10 | N11 | 0.4° | 0.0° |
| S9 | C8 | N10 | H10 | 179.6° | 179.9° |
| C8 | N10 | N11 | H10 | 180.0° | 179.9° |
| C8 | N10 | N11 | C12 | 178.2° | 180.0° |
| N10 | N11 | C12 | C13 | 2.9° | 0.0° |
| N10 | N11 | C12 | C14 | 178.4° | 180.0° |
| N11 | C12 | C13 | C14 | 175.7° | 180.0° |
| N11 | C12 | C14 | C15 | 160.8° | 0.0° |
| N11 | C12 | C14 | O18 | 21.6° | 179.7° |
| C12 | N11 | N10 | H10 | 1.8° | 0.0° |
| N11 | C12 | C13 | H131 | 180.0° | 90.0° |
| N11 | C12 | C13 | H132 | 60.0° | 150.0° |
| N11 | C12 | C13 | H133 | 60.0° | 30.0° |
| C13 | C12 | C14 | C15 | 23.5° | 180.0° |
| C13 | C12 | C14 | O18 | 154.1° | 0.3° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C14 | C15 | O18 | 177.6° | 179.7° |
| C12 | C14 | C15 | C16 | 178.2° | 180.0° |
| C12 | C14 | O18 | C17 | 178.5° | 179.9° |
| C14 | C12 | C13 | H131 | 4.3° | 90.0° |
| C14 | C12 | C13 | H132 | 124.3° | 30.0° |
| C14 | C12 | C13 | H133 | 115.7° | 150.0° |
| C12 | C14 | C15 | H15 | 1.8° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.0° |
| C15 | C14 | O18 | C17 | 0.4° | 0.4° |
| C14 | C15 | C16 | H16 | 179.4° | 180.0° |
| O18 | C14 | C15 | C16 | 0.6° | 0.3° |
| C14 | O18 | C17 | C16 | 0.0° | 0.4° |
| C14 | O18 | C17 | C19 | 179.1° | 179.8° |
| O18 | C14 | C15 | H15 | 179.4° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | O18 | 0.4° | 0.2° |
| C15 | C16 | C17 | C19 | 179.4° | 180.0° |
| C16 | C17 | O18 | C19 | 179.1° | 179.8° |
| C16 | C17 | C19 | C20 | 159.7° | 0.0° |
| C16 | C17 | C19 | C24 | 20.6° | 179.8° |
| C17 | C16 | C15 | H15 | 179.4° | 180.0° |
| O18 | C17 | C19 | C20 | 19.2° | 179.7° |
| O18 | C17 | C19 | C24 | 160.5° | 0.0° |
| O18 | C17 | C16 | H16 | 179.6° | 179.7° |
| C17 | C19 | C20 | C24 | 179.7° | 179.8° |
| C17 | C19 | C20 | C21 | 179.9° | 180.0° |
| C17 | C19 | C24 | C23 | 179.1° | 179.7° |
| C19 | C17 | C16 | H16 | 0.6° | 0.0° |
| C17 | C19 | C20 | H20 | 0.1° | 0.0° |
| C17 | C19 | C24 | H24 | 0.9° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C20 | C19 | C24 | C23 | 0.6° | 0.5° |
| C20 | C19 | C24 | H24 | 179.3° | 179.7° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C24 | C19 | C20 | C21 | 0.2° | 0.2° |
| C19 | C24 | C23 | C22 | 1.6° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C19 | C24 | C23 | S25 | 178.8° | 179.7° |
| C24 | C19 | C20 | H20 | 179.8° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.9° | 0.1° |
| C20 | C21 | C22 | H22 | 179.0° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.8° | 0.2° |
| C21 | C22 | C23 | S25 | 178.9° | 180.0° |
| C22 | C21 | C20 | H20 | 180.0° | 179.9° |
| C22 | C23 | C24 | S25 | 177.1° | 179.7° |
| C22 | C23 | S25 | O25 | 6.1° | 156.4° |
| C22 | C23 | S25 | O26 | 124.5° | 23.5° |
| C22 | C23 | S25 | N26 | 114.9° | 90.0° |
| C22 | C23 | C24 | H24 | 178.4° | 179.7° |
| C23 | C22 | C21 | H21 | 179.1° | 180.0° |
| C24 | C23 | S25 | O25 | 171.1° | 23.8° |
| C24 | C23 | S25 | O26 | 52.6° | 156.7° |
| C24 | C23 | S25 | N26 | 68.0° | 89.7° |
| C24 | C23 | C22 | H22 | 178.2° | 179.7° |
| C23 | S25 | O25 | O26 | 117.6° | 122.9° |
| C23 | S25 | O25 | N26 | 122.7° | 114.1° |
| C23 | S25 | O26 | N26 | 121.1° | 114.1° |
| C23 | S25 | N26 | C27 | 81.0° | 65.0° |
| S25 | C23 | C24 | H24 | 1.2° | 0.1° |
| S25 | C23 | C22 | H22 | 1.0° | 0.0° |
| C23 | S25 | N26 | H26 | 99.0° | 115.0° |
| O25 | S25 | O26 | N26 | 118.3° | 122.9° |
| O25 | S25 | N26 | C27 | 156.1° | 48.6° |
| O25 | S25 | N26 | H26 | 24.0° | 131.5° |
| O26 | S25 | N26 | C27 | 37.6° | 178.5° |
| O26 | S25 | N26 | H26 | 142.5° | 1.4° |
| S25 | N26 | C27 | H26 | 180.0° | 179.9° |
| S25 | N26 | C27 | O27 | 0.2° | 0.0° |
| S25 | N26 | C27 | C28 | 179.6° | 180.0° |
| N26 | C27 | O27 | C28 | 179.8° | 180.0° |
| N26 | C27 | C28 | C29 | 81.4° | 180.0° |
| N26 | C27 | C28 | H281 | 158.8° | 60.0° |
| N26 | C27 | C28 | H282 | 38.4° | 60.0° |
| O27 | C27 | C28 | C29 | 98.4° | 0.0° |
| O27 | C27 | N26 | H26 | 179.7° | 180.0° |
| O27 | C27 | C28 | H281 | 21.4° | 120.0° |
| O27 | C27 | C28 | H282 | 141.8° | 120.0° |
| C27 | C28 | C29 | H281 | 119.8° | 120.0° |
| C27 | C28 | C29 | H282 | 119.8° | 120.0° |
| C27 | C28 | C29 | C30 | 157.6° | 180.0° |
| C28 | C27 | N26 | H26 | 0.5° | 0.0° |
| C27 | C28 | H281 | H282 | 120.6° | 120.0° |
| C27 | C28 | C29 | H291 | 82.8° | 60.0° |
| C27 | C28 | C29 | H292 | 38.1° | 60.0° |
| C28 | C29 | C30 | H291 | 119.5° | 120.0° |
| C28 | C29 | C30 | H292 | 119.5° | 119.9° |
| C28 | C29 | C30 | C31 | 173.2° | 180.0° |
| C29 | C28 | H281 | H282 | 120.5° | 120.0° |
| C28 | C29 | H291 | H292 | 121.4° | 120.0° |
| C28 | C29 | C30 | H301 | 66.3° | 60.0° |
| C28 | C29 | C30 | H302 | 52.7° | 60.0° |
| C29 | C30 | C31 | H301 | 120.5° | 120.0° |
| C29 | C30 | C31 | H302 | 120.5° | 120.0° |
| C29 | C30 | C31 | C32 | 178.0° | 180.0° |
| C30 | C29 | C28 | H281 | 37.8° | 60.0° |
| C30 | C29 | C28 | H282 | 82.6° | 60.1° |
| C30 | C29 | H291 | H292 | 121.4° | 120.0° |
| C29 | C30 | H301 | H302 | 118.4° | 120.0° |
| C29 | C30 | C31 | H311 | 62.4° | 60.0° |
| C29 | C30 | C31 | H312 | 58.5° | 60.0° |
| C30 | C31 | C32 | H311 | 119.5° | 120.0° |
| C30 | C31 | C32 | H312 | 119.5° | 120.0° |
| C30 | C31 | C32 | C33 | 171.2° | 179.9° |
| C31 | C30 | C29 | H291 | 53.7° | 60.0° |
| C31 | C30 | C29 | H292 | 67.3° | 60.0° |
| C31 | C30 | H301 | H302 | 118.4° | 120.0° |
| C30 | C31 | H311 | H312 | 121.5° | 120.0° |
| C30 | C31 | C32 | H321 | 51.5° | 60.0° |
| C30 | C31 | C32 | H322 | 69.1° | 60.0° |
| C31 | C32 | C33 | H321 | 119.7° | 119.9° |
| C31 | C32 | C33 | H322 | 119.7° | 120.0° |
| C31 | C32 | C33 | C34 | 53.8° | 90.0° |
| C31 | C32 | C33 | C38 | 126.7° | 90.3° |
| C32 | C31 | C30 | H301 | 57.5° | 60.0° |
| C32 | C31 | C30 | H302 | 61.4° | 60.0° |
| C32 | C31 | H311 | H312 | 121.5° | 120.0° |
| C31 | C32 | H321 | H322 | 120.7° | 120.0° |
| C32 | C33 | C34 | C38 | 179.6° | 179.8° |
| C32 | C33 | C34 | C35 | 179.5° | 180.0° |
| C32 | C33 | C38 | C37 | 179.6° | 179.8° |
| C33 | C32 | C31 | H311 | 69.3° | 60.0° |
| C33 | C32 | C31 | H312 | 51.7° | 60.0° |
| C33 | C32 | H321 | H322 | 120.7° | 120.0° |
| C32 | C33 | C34 | H34 | 0.5° | 0.0° |
| C32 | C33 | C38 | H38 | 0.4° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C34 | C33 | C38 | C37 | 0.1° | 0.4° |
| C34 | C33 | C32 | H321 | 173.5° | 30.0° |
| C34 | C33 | C32 | H322 | 66.0° | 150.0° |
| C34 | C33 | C38 | H38 | 179.9° | 179.7° |
| C33 | C34 | C35 | H35 | 179.7° | 180.0° |
| C38 | C33 | C34 | C35 | 0.1° | 0.3° |
| C33 | C38 | C37 | C36 | 0.0° | 0.4° |
| C33 | C38 | C37 | H38 | 180.0° | 179.9° |
| C38 | C33 | C32 | H321 | 7.0° | 149.8° |
| C38 | C33 | C32 | H322 | 113.6° | 29.8° |
| C38 | C33 | C34 | H34 | 179.9° | 179.8° |
| C33 | C38 | C37 | H37 | 180.0° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.4° | 0.0° |
| C34 | C35 | C36 | H36 | 179.6° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.2° | 0.2° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| C35 | C36 | C37 | H37 | 179.8° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H38 | 180.0° | 179.7° |
| C37 | C36 | C35 | H35 | 179.6° | 180.0° |
| C38 | C37 | C36 | H36 | 179.8° | 179.8° |
| H1 | C1 | C2 | H2 | 0.1° | 0.2° |
| H1 | C1 | C6 | H6 | 0.0° | 0.2° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H15 | C15 | C16 | H16 | 0.6° | 0.0° |
| H20 | C20 | C21 | H21 | 0.0° | 0.0° |
| H21 | C21 | C22 | H22 | 1.0° | 0.0° |
| H281 | C28 | C29 | H291 | 157.3° | NaN° |
| H281 | C28 | C29 | H292 | 81.7° | 60.0° |
| H282 | C28 | C29 | H291 | 37.0° | 60.0° |
| H282 | C28 | C29 | H292 | 157.9° | 180.0° |
| H291 | C29 | C30 | H301 | 174.2° | NaN° |
| H291 | C29 | C30 | H302 | 66.8° | 60.0° |
| H292 | C29 | C30 | H301 | 53.3° | 60.0° |
| H292 | C29 | C30 | H302 | 172.2° | 180.0° |
| H301 | C30 | C31 | H311 | 177.0° | 180.0° |
| H301 | C30 | C31 | H312 | 62.0° | 60.0° |
| H302 | C30 | C31 | H311 | 58.1° | 60.1° |
| H302 | C30 | C31 | H312 | 179.1° | 180.0° |
| H311 | C31 | C32 | H321 | 171.0° | 180.0° |
| H311 | C31 | C32 | H322 | 50.4° | 60.0° |
| H312 | C31 | C32 | H321 | 68.0° | 60.0° |
| H312 | C31 | C32 | H322 | 171.4° | 180.0° |
| H34 | C34 | C35 | H35 | 0.3° | 0.0° |
| H38 | C38 | C37 | H37 | 0.0° | 0.1° |
| H35 | C35 | C36 | H36 | 0.4° | 0.0° |
| H36 | C36 | C37 | H37 | 0.3° | 0.0° |
